SCHEMBL6528520

SCHEMBL6528520

COc1ccc2nc(N3CCNCC3Cl)n3c2c1C(=O)CC3

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.43
HTR2B P41595 15/20 0.41
HTR2A P28223 14/20 0.41
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL6507759 0.70 MAPT (0.41) KDM4EALDH1A1CYP1A2
SCHEMBL6528522 0.67 HTR2C (0.38) HTR2CHTR2BHTR2A
SCHEMBL3225974 0.64 KDM4E (0.46) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8911452 0.63 DRD2 (0.56) HTR2CHTR2BHTR2A
SCHEMBL13119133 0.60 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL13119138 0.60 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL6630805 0.60 PARP1 (0.43) HTR2CKDM4EALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL3559594 0.60 HTR2C (0.98) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL3563962 0.60 HTR2C (0.98) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL6510200 0.59 PARP1 (0.42) HTR2CKDM4EALDH1A1CYP1A2

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
US-20050032779-A1 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-02-10 US disclosed
EP-1309594-B1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2004-12-15 EP disclosed
US-6794382-B2 6-OXO-5,6-DIHYDRO-4H-IMIDAZO(4,5,1-IJ)QUINOLINE DERIVATIVES AS INHIBITORS OF ADP-RIBOSYLTRANSFERASE; CARDIOVASCULAR, IMMUNOLOGICAL, RESPIRATORY SYSTEM, AND NEURODEGENERATIVE DISORDER TREATMENT SANOFI-SYNTHELABO (FR) 2004-09-21 US disclosed
US-20030203893-A1 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2003-10-30 US disclosed
EP-1309594-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2003-05-14 EP disclosed
WO-2002012239-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-02-14 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 (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-20050032779-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, CYP3A7, HDAC7 HTR2C 466/4885HTR2B 1100/4885HTR2A 2017/4885
US-20030203893-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, HRH4, CBR1 HTR2C 621/4885HTR2B 1337/4885HTR2A 2380/4885

“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.