SCHEMBL12358835

SCHEMBL12358835

NSc1ccccc1-c1ccc2[nH]c(CCc3ccccc3Cl)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ PDE10A Q9Y233 2/20 0.41
▸ PRKAG1 P54619 2/20 0.40
▸ PRKAA2 P54646 2/20 0.40
▸ PRKAB1 Q9Y478 2/20 0.40
▸ CSNK2A2 P19784 2/20 0.38
▸ CSNK2B P67870 2/20 0.38
▸ CSNK2A1 P68400 2/20 0.38
▸ CSNK2A3 Q8NEV1 2/20 0.38
▸ MAPT P10636 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ TRPA1 O75762 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 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
SCHEMBL12359234 0.85 RAB9A (0.53) RAB9ASMN1; SMN2LMNANPC1PDE10A
SCHEMBL12358874 0.81 TRPV1 (0.45) RAB9ASMN1; SMN2LMNANPC1PDE10A
SCHEMBL2240813 0.81 TRPV1 (0.56) LMNAPDE10APRKAG1PRKAA2PRKAB1
Hydrochloric Acid SCHEMBL27138714 0.76 MAOB (0.50) RAB9ANPC1PDE10APRKAG1PRKAA2
Hydrochloric Acid SCHEMBL30033809 0.76 MAOB (0.50) RAB9ANPC1PDE10APRKAG1PRKAA2
SCHEMBL12359134 0.76 TRPV1 (0.45) RAB9ASMN1; SMN2LMNANPC1PDE10A
SCHEMBL12359287 0.75 NPC1 (0.48) RAB9ASMN1; SMN2LMNANPC1MAPT
SCHEMBL12358671 0.74 TRPV1 (0.43) RAB9ASMN1; SMN2LMNANPC1PDE10A
SCHEMBL12359117 0.73 IDO1 (0.46) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL12653103 0.70 MEN1 (0.57) RAB9ASMN1; SMN2LMNANPC1MAPT

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 3985/4885SMN1; SMN2 4562/4885LMNA 4066/4885

“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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