SCHEMBL3405802

SCHEMBL3405802

CCc1ccc(C(=O)Nc2ccc(C)cc2OC)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
HPGD P15428 3/20 0.67
LMNA P02545 4/20 0.65
AHR P35869 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
KDM4E B2RXH2 3/20 0.56
MAPT P10636 3/20 0.56
EPHX1 P07099 2/20 0.55
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
P2RY14 Q15391 1/20 0.51
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP1B1 Q16678 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL12388794 0.89 ALDH1A1 (0.83) ALDH1A1HPGDLMNAAHRSMN1; SMN2
SCHEMBL13754033 0.83 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL16071443 0.83 EPHX1 (0.76) ALDH1A1HPGDLMNAAHRSMN1; SMN2
SCHEMBL3404621 0.82 GAA (0.62) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL15214340 0.80 ALDH1A1 (1.00) ALDH1A1HPGDLMNAAHRSMN1; SMN2
SCHEMBL13348880 0.79 ALDH1A1 (0.64) ALDH1A1HPGDLMNAAHRSMN1; SMN2
SCHEMBL3408543 0.78 PKM (0.49) ALDH1A1HPGDLMNAAHRSMN1; SMN2
SCHEMBL21468533 0.78 DHODH (0.74) ALDH1A1HPGDLMNAAHRSMN1; SMN2
SCHEMBL28587110 0.78 ALDH1A1 (0.74) ALDH1A1HPGDLMNAAHRSMN1; SMN2
SCHEMBL31321618 0.77 MAPT (0.56) ALDH1A1LMNASMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816330-B2 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides JANSSEN PHARMACEUTICA NV (BE) 2010-10-19 US disclosed
US-20100004188-A1 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES URBANSKI MAUD 2010-01-07 US disclosed
EP-1679966-A4 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP disclosed
US-20090105165-A1 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES URBANSKI MAUD 2009-04-23 US disclosed
US-7511020-B2 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-31 US disclosed
US-20060234954-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides Tanabe Pharma Corporation (JP) 2006-10-19 US disclosed
US-7094764-B2 Substituted benzimidazole-, Benztriazole-, and benzimidazolone-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-22 US disclosed
EP-1679966-A2 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 EP disclosed
US-20050032712-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 US disclosed
WO-2005012242-A2 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2005-02-10 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 (4 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-20090105165-A1 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES GANAB, GCG, B3GAT3 ALDH1A1 2023/4885HPGD 2152/4885LMNA 1678/4885
US-20050032712-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides GANAB, GCG, GANC ALDH1A1 1814/4885HPGD 2213/4885LMNA 1740/4885
US-20100004188-A1 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES GANAB, GCG, GANC ALDH1A1 1814/4885HPGD 2213/4885LMNA 1740/4885
US-20060234954-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides GANAB, GCG, B3GAT3 ALDH1A1 2050/4885HPGD 2202/4885LMNA 1700/4885

“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.