SCHEMBL12358708

SCHEMBL12358708

C=C(O)c1ccccc1-c1ccc2[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.50
▸ NPC1 O15118 5/20 0.50
▸ GAA P10253 2/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.45
▸ KDM4E B2RXH2 7/20 0.45
▸ HPGD P15428 6/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ MAPT P10636 3/20 0.43
▸ GFER P55789 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RCE1 Q9Y256 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ FTO Q9C0B1 1/20 0.43

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
SCHEMBL12358814 0.92 KDM4E (0.49) RAB9ANPC1GAAKDM4EHPGD
SCHEMBL12359122 0.89 PARP1 (0.46) RAB9ANPC1GAAHDAC6KDM4E
SCHEMBL12358860 0.89 DGAT1 (0.53) HDAC6SCDDGAT1KCNH2
SCHEMBL12358842 0.88 SCD (0.56) RAB9ANPC1HDAC6KMT2AMEN1
SCHEMBL12358700 0.86 DGAT1 (0.50) RAB9ANPC1KDM4EHPGDALDH1A1
SCHEMBL12359266 0.84 SCD (0.42) RAB9ANPC1HDAC6KDM4EHPGD
SCHEMBL12359212 0.84 NPC1 (0.38) RAB9ANPC1GAAKDM4EHPGD
SCHEMBL12358844 0.82 SCN5A (0.40) RAB9ANPC1HDAC6KDM4EHPGD
SCHEMBL12358861 0.82 MAPT (0.42) RAB9ANPC1GAAHDAC6KDM4E
SCHEMBL22649095 0.79 NPC1 (0.67) RAB9ANPC1GAAHDAC6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — 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-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 RAB9A 3985/4885NPC1 750/4885GAA 1682/4885

“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.

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