SCHEMBL10053600

SCHEMBL10053600

Cc1cc(-n2cnnc2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 4/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 1/20 0.44
CYP19A1 P11511 1/20 0.43
TSHR P16473 1/20 0.43
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
POLB P06746 1/20 0.38

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
SCHEMBL10053481 0.84 PKM (0.48) L3MBTL1KMT2ALMNACYP1A2CYP2C9
SCHEMBL12841361 0.81 CYP1A2 (0.47) L3MBTL1KMT2ACYP1A2CYP2C9MEN1
SCHEMBL8338440 0.78 NOTUM (0.58) KMT2ALMNAMEN1CYP19A1TSHR
SCHEMBL7314884 0.76 KDM4E (0.50) L3MBTL1KMT2ACYP1A2CYP2C9MEN1
SCHEMBL10022692 0.76 KMT2A (0.43) L3MBTL1KMT2ALMNACYP1A2CYP2C9
SCHEMBL21849244 0.76 KMT2A (0.43) L3MBTL1KMT2ALMNACYP1A2CYP2C9
SCHEMBL15872005 0.74 NOTUM (0.72) KMT2ALMNAHTTALDH1A1
SCHEMBL3344599 0.73 KMT2A (0.51) L3MBTL1KMT2ACYP1A2CYP2C9MEN1
SCHEMBL28077218 0.73 ADH5 (0.50) L3MBTL1KMT2ACYP1A2CYP2C9ALDH1A1
SCHEMBL4425736 0.73 NOTUM (0.44) CYP1A2CYP2C9HTTCYP19A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 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 (1 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA L3MBTL1 4323/4885KMT2A 3143/4885LMNA 1872/4885

“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.