SCHEMBL714672

SCHEMBL714672

[NaH].[O-][S+](Cc1cc(OCC2OCC3(CC3)CO2)ccn1)c1nc2ccccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
CYP2C9 P11712 2/20 0.33
NPC1 O15118 2/20 0.31
TP53 P04637 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL710468 0.99 NOS3 (0.38) NOS3NOS1NOS2CYP2C9NPC1
SCHEMBL714673 0.98 NOS3 (0.37) NOS3NOS1NOS2CYP2C9NPC1
SCHEMBL930902 0.95 NOS3 (0.37) NOS3NOS1NOS2CYP2C9NPC1
SCHEMBL12908485 0.91 NOS3 (0.37) NOS3NOS1NOS2CYP2C9NPC1
SCHEMBL4364471 0.91 NOS1 (0.39) NOS3NOS1NOS2CYP2C9NPC1
SCHEMBL713080 0.89 CYP2C9 (0.38) CYP2C9
SCHEMBL10207873 0.88 CYP2C9 (0.39) CYP2C9
SCHEMBL713081 0.87 CYP2C9 (0.38) CYP2C9
SCHEMBL931008 0.83 NOS3 (0.39) NOS3NOS1NOS2CYP2C9NPC1
SCHEMBL8435843 0.83 CYP2C9 (0.46) NOS3NOS1NOS2CYP2C9NPC1

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-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US claimed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US claimed
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 NOS3 388/4885NOS1 1152/4885NOS2 1669/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 NOS3 1018/4885NOS1 1790/4885NOS2 2533/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 NOS3 388/4885NOS1 1152/4885NOS2 1669/4885

“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.