SCHEMBL3240840

SCHEMBL3240840

N#CC(C#N)=Cc1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.53
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.45
CYP19A1 P11511 1/20 0.45
KDM4E B2RXH2 2/20 0.41
PDE9A O76083 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
APOBEC3A P31941 1/20 0.39
CYP2C19 P33261 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30554590 1.00 APP (0.53) APPESR1ESR2MEN1KMT2A
SCHEMBL30554541 0.88 APP (0.48) APPMEN1KMT2AMAPTALDH1A1
SCHEMBL3245702 0.88 APP (0.48) APPMEN1KMT2AMAPTALDH1A1
SCHEMBL5158461 0.85 KMT2A (0.50) APPMEN1KMT2AMAPTALDH1A1
SCHEMBL17407578 0.80 TRPA1 (0.46) APPMEN1KMT2AMAPTALDH1A1
SCHEMBL30554596 0.79 APP (0.50) APPMEN1KMT2AMAPTALDH1A1
SCHEMBL3248228 0.79 APP (0.50) APPMEN1KMT2AMAPTALDH1A1
SCHEMBL3248848 0.79 APP (0.50) APPMEN1KMT2AMAPTALDH1A1
SCHEMBL30554525 0.79 APP (0.50) APPMEN1KMT2AMAPTALDH1A1
SCHEMBL5636188 0.77 ALDH1A1 (0.51) MEN1KMT2AMAPTALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023161832-A1 MEASUREMENT, DIAGNOSIS, TREATMENT AND MANAGEMENT OF METABOLIC SYNDROME GARCIA SADA FERNANDO (MX) 2023-08-31 WO claimed
US-20230266340-A1 Measurement, Diagnosis, Treatment and Management of Metabolic Syndrome SILTI AG (CH) 2023-08-24 US claimed
US-20240066001-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES SILTI AG (CH) 2024-02-29 US disclosed
US-20240066001-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES SILTI AG (CH) 2024-02-29 US disclosed
EP-3164125-B1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES NAN GLOBAL LLC (US) 2023-09-06 EP disclosed
WO-2023161832-A1 MEASUREMENT, DIAGNOSIS, TREATMENT AND MANAGEMENT OF METABOLIC SYNDROME GARCIA SADA FERNANDO (MX) 2023-08-31 WO disclosed
US-20230266340-A1 Measurement, Diagnosis, Treatment and Management of Metabolic Syndrome SILTI AG (CH) 2023-08-24 US disclosed
US-20210186918-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES MOLECULE X LLC 2021-06-24 US disclosed
US-20210186918-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES MOLECULE X LLC 2021-06-24 US disclosed
US-10849872-B2 Methods and compositions for treating obesity, preventing weight gain, promoting weight loss, promoting slimming, or treating or preventing the development of diabetes NAN Global, LLC (US) 2020-12-01 US disclosed
US-10849872-B2 Methods and compositions for treating obesity, preventing weight gain, promoting weight loss, promoting slimming, or treating or preventing the development of diabetes NAN Global, LLC (US) 2020-12-01 US disclosed
US-20160000745-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES MOLECULE X LLC 2016-01-07 US disclosed
US-20160000745-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES MOLECULE X LLC 2016-01-07 US disclosed
US-20160000745-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES MOLECULE X LLC 2016-01-07 US disclosed
EP-1575575-B1 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2010-05-19 EP disclosed
WO-2007010044-A1 3-INDOLYLMETHYLENE DERIVATIVES WITH CYTOSTATIC ACTION UNIVERSITAET REGENSBURG (DE) 2007-01-25 WO disclosed
EP-1746087-A1 Derivates of 3-indolylmethylene having cytostatic properties Universitaet Regensburg (DE) 2007-01-24 EP disclosed
EP-1575575-A2 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2005-09-21 EP disclosed
US-20040138301-A1 Chemical uncouplers for the treatment of obesity HIGH POINT PHARMACEUTICALS, LLC 2004-07-15 US disclosed
WO-2004041256-A2 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-05-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210186918-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES GPR119, CPT1B, CPT2 APP 3048/4885ESR1 4460/4885ESR2 4579/4885
US-20240066001-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES GPR119, CPT1B, CPT2 APP 3048/4885ESR1 4460/4885ESR2 4579/4885
US-20160000745-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES GPR119, CPT1B, CPT2 APP 3048/4885ESR1 4460/4885ESR2 4579/4885
US-20040138301-A1 Chemical uncouplers for the treatment of obesity PC, CPT2, IDH2 APP 4565/4885ESR1 86/4885ESR2 50/4885
US-10849872-B2 Methods and compositions for treating obesity, preventing weight gain, promoting weight loss, promoting slimming, or treating or preventing the development of diabetes GPR119, CPT1B, CPT2 APP 3048/4885ESR1 4460/4885ESR2 4579/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.