SCHEMBL6377337

SCHEMBL6377337

COc1c(Cl)ccnc1CSc1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.58
NOS1 P29475 1/20 0.58
NOS2 P35228 1/20 0.58
RAB9A P51151 9/20 0.55
NPC1 O15118 8/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2D6 P10635 3/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP3A4 P08684 2/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
NFKB1 P19838 3/20 0.55
NFKB2 Q00653 3/20 0.55
RELA Q04206 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP2E1 P05181 2/20 0.52
CYP2C8 P10632 2/20 0.52
CYP2B6 P20813 2/20 0.52
TP53 P04637 2/20 0.52

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
SCHEMBL9833507 0.87 SMN1; SMN2 (0.62) NOS3NOS1NOS2RAB9ANPC1
SCHEMBL1268987 0.84 RAB9A (0.64) NOS3NOS1NOS2RAB9ANPC1
SCHEMBL9835001 0.84 RAB9A (0.59) NOS3NOS1NOS2RAB9ANPC1
SCHEMBL7814469 0.83 NOS3 (0.53) NOS3NOS1NOS2RAB9ANPC1
SCHEMBL9276001 0.82 RAB9A (0.62) NOS3NOS1NOS2RAB9ANPC1
SCHEMBL9274369 0.82 NOS3 (0.54) NOS3NOS1NOS2RAB9ANPC1
SCHEMBL9834816 0.82 RAB9A (0.58) NOS3NOS1NOS2RAB9ANPC1
Hydrochloric Acid SCHEMBL7818020 0.82 NOS3 (0.52) NOS3NOS1NOS2RAB9ANPC1
SCHEMBL8305285 0.81 NOS3 (0.51) NOS3NOS1NOS2RAB9ANPC1
SCHEMBL9836498 0.81 RAB9A (0.78) NOS3NOS1NOS2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884810-B2 Benzimidazole derivatives ZERIA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1428825-A1 BENZIMIDAZOLE DERIVATIVES Zeria Pharmaceutical Co., Ltd. (JP) 2004-06-16 EP disclosed
US-20030236411-A1 Benzimidazole derivatives ZERIA PHARMACEUTICAL CO., LTD. (JP) 2003-12-25 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 (1 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-20030236411-A1 Benzimidazole derivatives CYP2E1, CYP1A1, CYP1B1 NOS3 649/4885NOS1 325/4885NOS2 566/4885

“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.