SCHEMBL712221

SCHEMBL712221

CCCC1(CCOc2ccnc(CSc3nc4ccccc4[nH]3)c2C)OCCCO1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.58
RAB9A P51151 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
NPC1 O15118 2/20 0.58
CYP3A4 P08684 1/20 0.58
AR P10275 3/20 0.45
MAPT P10636 5/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.43
GALR3 O60755 1/20 0.43
STAT3 P40763 1/20 0.43
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
HPGD P15428 2/20 0.40
DDAH1 O94760 1/20 0.40

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
SCHEMBL714629 0.97 CYP2C9 (0.60) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL13358798 0.89 CYP2C9 (0.61) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL712316 0.85 CYP2C9 (0.56) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2992736 0.83 RAB9A (0.74) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2986625 0.82 RAB9A (0.72) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL712507 0.82 CYP2C9 (0.39) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2983653 0.82 RAB9A (0.71) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL714942 0.81 CYP2C9 (0.39) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL714941 0.81 PDE4D (0.39) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2992805 0.81 RAB9A (0.70) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 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-20070010542-A1 Benzimidazole compound HRH2, GIPR, HRH4 CYP2C9 1229/4885RAB9A 1686/4885CYP1A2 3187/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 CYP2C9 1734/4885RAB9A 1821/4885CYP1A2 3448/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 CYP2C9 1229/4885RAB9A 1686/4885CYP1A2 3187/4885

“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.