SCHEMBL3928063

SCHEMBL3928063

[O-][S+](c1ccc(Cl)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.57
NPC1 O15118 9/20 0.57
GAA P10253 3/20 0.57
KDM4E B2RXH2 12/20 0.55
ALDH1A1 P00352 10/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
HPGD P15428 6/20 0.55
TP53 P04637 4/20 0.55
HSD17B10 Q99714 4/20 0.55
MAPT P10636 4/20 0.55
POLB P06746 2/20 0.55
GFER P55789 1/20 0.55
PKN1 Q16512 1/20 0.53
PKN2 Q16513 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 1/20 0.52
FTO Q9C0B1 1/20 0.52
MMP2 P08253 1/20 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
SCHEMBL197619 0.88 RAB9A (0.72) RAB9ANPC1GAAKDM4EALDH1A1
SCHEMBL3926454 0.80 CHEK2 (0.64) RAB9ANPC1GAAKDM4EALDH1A1
SCHEMBL5677793 0.80 CHEK2 (0.62) RAB9ANPC1GAAKDM4EALDH1A1
SCHEMBL20445410 0.79 KDM4E (0.68) RAB9ANPC1GAAKDM4EALDH1A1
SCHEMBL28256337 0.79 NPC1 (0.66) RAB9ANPC1GAAKDM4EALDH1A1
SCHEMBL3929438 0.79 KDM4E (0.60) RAB9ANPC1GAAKDM4EALDH1A1
SCHEMBL20445296 0.79 NPC1 (0.60) RAB9ANPC1GAAKDM4EALDH1A1
SCHEMBL2178266 0.79 NPC1 (0.88) RAB9ANPC1GAAKDM4EALDH1A1
SCHEMBL29386825 0.79 NPC1 (0.88) RAB9ANPC1GAAKDM4EALDH1A1
SCHEMBL24295036 0.78 NPC1 (0.84) RAB9ANPC1GAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 US claimed
US-7504414-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-03-17 US disclosed
US-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines ARIENTI KRISTEN L 2008-01-10 US disclosed
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 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-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines CDKN1A, DDB1, TMBIM6 RAB9A 3742/4885NPC1 3612/4885GAA 1651/4885

“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.