SCHEMBL1070252

SCHEMBL1070252

O=C1CCCC(c2cccnc2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.62
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP3A4 P08684 1/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 1/20 0.47
THPO P40225 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CHRNB2 P17787 6/20 0.45
CHRNA4 P43681 6/20 0.45
CHRNA7 P36544 5/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNA2 Q15822 2/20 0.45
CYP2A6 P11509 2/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL24924079 0.90 CYP11B2 (0.56) CYP11B2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL26422507 0.83 CYP11B2 (0.58) CYP11B2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL18706042 0.81 MAPT (0.46) CYP11B2THRBMAPT
SCHEMBL18705865 0.80 ESR2 (0.46) CYP11B2KDM4ELMNAMAPTCYP2C19
Hydrochloric Acid SCHEMBL9482313 0.80 MAPT (0.55) ALDH1A1MEN1KMT2ACYP3A4LMNA
SCHEMBL13453993 0.80 MAPT (0.60) CYP11B2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL25344786 0.80 ESR2 (0.46) CYP11B2KDM4ELMNAMAPTCYP2C19
SCHEMBL746253 0.80 CYP11B2 (0.65) CYP11B2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL714527 0.79 MAPT (0.59) ALDH1A1MEN1KMT2ACYP3A4LMNA
SCHEMBL715591 0.79 MAPT (0.59) ALDH1A1MEN1KMT2ACYP3A4LMNA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US disclosed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP disclosed
CN-108419435-A Compound and epigenetics for treating cancer 新加坡科技研究局 2018-08-17 CN disclosed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO disclosed
EP-2451285-B1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2016-01-13 EP disclosed
US-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
US-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
US-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
EP-2451285-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-05-16 EP disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
WO-2011005608-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-01-13 WO disclosed
WO-2011005608-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-01-13 WO disclosed
US-5849764-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 1998-12-15 US disclosed
EP-0871624-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1998-10-21 EP disclosed
WO-1997021703-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO disclosed
EP-0510028-A1 THIOFORMAMIDE DERIVATIVES. RHONE POULENC RORER SA (FR) 1992-10-28 EP 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 (2 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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 CYP11B2 4526/4885ALDH1A1 3004/4885MEN1 4516/4885
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 CYP11B2 2131/4885ALDH1A1 373/4885MEN1 1006/4885

“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.