SCHEMBL8253236

SCHEMBL8253236

N#Cc1ccc2ccn(O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.50
CDK2 P24941 4/20 0.50
MAP3K14 Q99558 1/20 0.47
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
TSHR P16473 4/20 0.44
HSD17B10 Q99714 4/20 0.44
HPGD P15428 3/20 0.44
GLA P06280 2/20 0.44
HTT P42858 1/20 0.44
USP2 O75604 2/20 0.43
POLB P06746 1/20 0.43
PRMT5 O14744 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
CYP19A1 P11511 1/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
CA12 O43570 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
SCHEMBL28835066 0.85 CDC7 (0.47) CDC7CDK2MAP3K14ALDH1A1KDM4E
SCHEMBL506374 0.77 CYP2A6 (0.49) CDC7CDK2MAP3K14ALDH1A1KDM4E
SCHEMBL27924593 0.77 CDC7 (0.48) CDC7CDK2MAP3K14ALDH1A1KDM4E
SCHEMBL30089263 0.77 CYP2A6 (0.49) CDC7CDK2MAP3K14ALDH1A1KDM4E
SCHEMBL20340238 0.75 CDC7 (0.46) CDC7CDK2MAP3K14ALDH1A1KDM4E
SCHEMBL28417198 0.74 NOTUM (0.53) CDC7CDK2MAP3K14ALDH1A1KDM4E
SCHEMBL20656047 0.73 ALDH1A1 (0.50) CDC7CDK2MAP3K14ALDH1A1KDM4E
SCHEMBL20655577 0.73 CDC7 (0.44) CDC7CDK2MAP3K14ALDH1A1KDM4E
SCHEMBL18585228 0.73 CDC7 (0.44) CDC7CDK2MAP3K14ALDH1A1KDM4E
SCHEMBL30940222 0.72 CDC7 (0.41) CDC7CDK2MAP3K14ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306638-A1 BENZISOXAZOLE PIPERIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE DERIVATIVES AND THEIR USE NHWA PHARMA. CORPORATION (CN) 2011-12-15 US disclosed
CN-101759693-B Benzo-isoxazol piperidine derivative and application in preparing analgesic and sedative medicaments JIANGSU ENHUA PHARMACEUTICAL CO LTD 2011-09-14 CN disclosed
CN-101759693-A Benzo-isoxazol piperidine derivative and application in preparing analgesic and sedative medicaments NHWA PHARMACEUTICAL GROUP CO L 2010-06-30 CN disclosed
EP-1827427-B1 ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARM BV (NL) 2008-07-23 EP disclosed
US-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-03-29 US disclosed
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 US disclosed
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 US disclosed
US-5488113-A Process for the preparation of 1-hydroxyindole compounds EASTMAN CHEMICAL COMPANY (US) 1996-01-30 US disclosed
US-5434271-A 1-hydroxyindole compounds EASTMAN CHEMICAL COMPANY (US) 1995-07-18 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 (3 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-20110306638-A1 BENZISOXAZOLE PIPERIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE DERIVATIVES AND THEIR USE HTR2A, HTR2C, HTR5A CDC7 4801/4885CDK2 2154/4885MAP3K14 2841/4885
US-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION HTR2C, HTR2A, HTR5A CDC7 4307/4885CDK2 943/4885MAP3K14 2240/4885
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition HTR2C, HTR2A, HTR5A CDC7 4307/4885CDK2 943/4885MAP3K14 2240/4885

“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.