SCHEMBL5099758

SCHEMBL5099758

COc1cc(C#N)cc(CC(=O)Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
GPR35 Q9HC97 1/20 0.37
MAPK8 P45983 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
VNN1 O95497 1/20 0.36
MGLL Q99685 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLS O94925 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL1461660 0.87 ALDH1A1 (0.46) MAPK8KDM4EGAASIGMAR1L3MBTL1
Hydrochloric Acid SCHEMBL5099763 0.84 PTGS1 (0.46) RAB9AGPR35KDM4EGAAMGLL
SCHEMBL29883279 0.79 LMNA (0.41) RAB9AGPR35KDM4EGAAL3MBTL1
SCHEMBL26699202 0.79 LMNA (0.41) RAB9AGPR35KDM4EGAAL3MBTL1
SCHEMBL4695771 0.78 ALDH1A1 (0.41) RAB9A
SCHEMBL7670779 0.78 ALDH1A1 (0.41) RAB9APOLB
SCHEMBL27406782 0.77 MARS1 (0.43) SIGMAR1L3MBTL1KMT2AMEN1
SCHEMBL17694470 0.77 PTGS1 (0.40) MAPK8SIGMAR1L3MBTL1GLSPOLB
SCHEMBL4276392 0.77 P4HB (0.43) RAB9AGPR35KDM4EGAAMGLL
SCHEMBL15506139 0.76 CYP2A6 (0.45) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425641-B2 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-09-16 US disclosed
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-03-24 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 (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-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F12, F11, F2 RAB9A 1580/4885GPR35 828/4885MAPK8 2727/4885

“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.