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Sugi Predict / Compounds / SCHEMBL710389

SCHEMBL710389

SCHEMBL710389

CCC1(CC)OCC(COc2ccnc(C[S+]([O-])c3nc4ccccc4[nH]3)c2C)O1.[Na]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ WDR5 P61964 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ENGASE Q8NFI3 3/20 0.35
▸ DDAH1 O94760 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TBXA2R P21731 2/20 0.35
▸ NPY1R P25929 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ OPRM1 P35372 2/20 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
SCHEMBL10207830 0.99 CYP2C9 (0.37) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL710388 0.98 CYP2C9 (0.36) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL929462 0.91 CYP2C9 (0.38) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL714899 0.91 CYP2C9 (0.38) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL714073 0.90 CYP2C9 (0.37) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL10207745 0.90 CYP2C9 (0.38) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL714898 0.89 CYP2C9 (0.38) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL713725 0.89 CYP2C9 (0.38) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL714072 0.89 CYP2C9 (0.37) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL714213 0.87 CYP2C9 (0.35) CYP2C9NPC1RAB9ACYP1A2CYP3A4

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 7 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
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-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
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

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 1229/4885NPC1 1355/4885RAB9A 1686/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 CYP2C9 1734/4885NPC1 1544/4885RAB9A 1821/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 CYP2C9 1229/4885NPC1 1355/4885RAB9A 1686/4885

“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.