SCHEMBL10040530

SCHEMBL10040530

CCOC(=N)c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.56
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 6/20 0.41
LMNA P02545 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ESR1 P03372 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
ESR2 Q92731 1/20 0.41
CA14 Q9ULX7 1/20 0.41
RAB9A P51151 3/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
WDR5 P61964 1/20 0.39
CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL2327193 0.98 DGAT1 (0.55) DGAT1GAAKMT2AALDH1A1LMNA
SCHEMBL13108706 0.93 DGAT1 (0.62) DGAT1KMT2AALDH1A1LMNACA12
Hydrochloric Acid SCHEMBL20766398 0.91 DGAT1 (0.60) DGAT1KMT2AALDH1A1LMNACA12
Hydrochloric Acid SCHEMBL17512889 0.91 DGAT1 (0.60) DGAT1KMT2AALDH1A1LMNACA12
SCHEMBL13108731 0.86 DGAT1 (0.56) DGAT1KMT2AALDH1A1LMNACA12
SCHEMBL3440192 0.84 ESR1 (0.59) DGAT1KMT2AALDH1A1LMNACA12
SCHEMBL15294298 0.84 DGAT1 (0.55) DGAT1GAAKMT2AALDH1A1LMNA
SCHEMBL5498688 0.83 DGAT1 (0.53) DGAT1GAAKMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL3440191 0.83 ESR1 (0.57) DGAT1KMT2AALDH1A1LMNACA12
SCHEMBL15650610 0.83 CYP3A4 (0.60) DGAT1ALDH1A1LMNAESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119059933-A Method for synthesizing aryl nitrile and spiro isoindole compounds by using trivalent rhodium as catalyst 沈阳师范大学 2024-12-03 CN disclosed
CN-114560790-B Biphenyl-2-nitrile compound and preparation method thereof 赣南师范大学 2024-02-20 CN disclosed
CN-115710227-A Preparation method of indenoisoquinoline derivative 广东工业大学 2023-02-24 CN disclosed
CN-114560790-A Biphenyl-2-nitrile compound and preparation method thereof 赣南师范大学 2022-05-31 CN disclosed
CN-109438264-B Polysubstituted indenamine derivative and preparation method thereof 华侨大学 2021-06-01 CN disclosed
WO-2020219287-A1 CAMPTOTHECIN DERIVATIVES IMMUNOGEN, INC. (US) 2020-10-29 WO disclosed
EP-3622968-A1 COMPOSITIONS AND METHODS FOR DELIVERING A SUBSTANCE TO A BIOLOGICAL TARGET The General Hospital Corporation (US) 2020-03-18 EP disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
US-7799947-B2 In vivo imaging compounds HAMMERSMITH IMANET LIMITED (GB) 2010-09-21 US disclosed
US-20090155168-A1 IN VIVO IMAGING COMPOUNDS GE HEALTHCARE LIMITED (GB) 2009-06-18 US 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-20110118311-A1 AZOLE COMPOUND FAAH, FAAH2, TRPV1 DGAT1 758/4885GAA 3393/4885KMT2A 1802/4885
US-20090155168-A1 IN VIVO IMAGING COMPOUNDS GRIN1, GRIN2B, GRIN3B DGAT1 2577/4885GAA 4417/4885KMT2A 1278/4885

“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.