SCHEMBL3149877

SCHEMBL3149877

COCc1ccc2[nH]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
RAD51 Q06609 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
AHR P35869 3/20 0.46
NR4A2 P43354 2/20 0.46
CYP2A6 P11509 2/20 0.46
F7 P08709 1/20 0.46
LTA4H P09960 1/20 0.46
F3 P13726 1/20 0.46
CYP17A1 P05093 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL13323642 0.86 USP2 (0.47) USP2GAAALOX15RAD51NPSR1
SCHEMBL1607615 0.85 MEN1 (0.55) AHRCYP2A6MEN1POLBMAPK1
SCHEMBL27626299 0.85 USP2 (0.53) USP2GAAALOX15RAD51NPSR1
SCHEMBL3537476 0.82 USP2 (0.47) USP2GAAALOX15RAD51NPSR1
SCHEMBL29445647 0.79 AHR (0.50) USP2GAAALOX15RAD51NPSR1
SCHEMBL763201 0.79 AHR (0.50) USP2GAAALOX15RAD51NPSR1
SCHEMBL8666600 0.78 HDAC1 (0.55) USP2GAAALOX15RAD51NPSR1
SCHEMBL27705128 0.77 CYP2A6 (0.50) USP2GAAALOX15RAD51NPSR1
SCHEMBL13836500 0.77 AHR (0.42) USP2GAAALOX15RAD51NPSR1
SCHEMBL30376216 0.77 MAOB (0.47) USP2GAAALOX15RAD51NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1555257-B1 PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND IHARA CHEMICAL IND CO (JP) 2010-01-20 EP disclosed
CN-100339360-C Process for producing aromatic nitrile compound IHARA CHEMICAL IND CO (JP) 2007-09-26 CN disclosed
US-7262316-B2 Process for producing aromatic nitrile compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-28 US disclosed
US-20060069282-A1 Process for producing aromatic nitrile compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-03-30 US disclosed
CN-1714074-A Method for producing aromatic nitrile compound IHARA CHEMICAL IND CO (JP) 2005-12-28 CN disclosed
EP-1555257-A1 PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-07-20 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 (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-20060069282-A1 Process for producing aromatic nitrile compound ODC1, ALKBH3, GNMT USP2 1328/4885GAA 674/4885ALOX15 4093/4885

“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.