SCHEMBL12359234

SCHEMBL12359234

NSc1ccccc1-c1ccc2[nH]c(CCc3ccccc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ MAPT P10636 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ TRPV1 Q8NER1 2/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.41
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39
▸ TUBA4A P68366 1/20 0.39
▸ TUBB4B P68371 1/20 0.39
▸ TUBB3 Q13509 1/20 0.39
▸ TUBB2A Q13885 1/20 0.39
▸ TUBB8 Q3ZCM7 1/20 0.39
▸ TUBA3E Q6PEY2 1/20 0.39
▸ TUBA1A Q71U36 1/20 0.39

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
SCHEMBL12358874 0.91 TRPV1 (0.45) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL12358835 0.85 RAB9A (0.44) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL12359134 0.83 TRPV1 (0.45) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL12358671 0.82 TRPV1 (0.43) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1800423 0.79 TRPV1 (0.67) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3764806 0.75 MAPT (0.78) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL12359233 0.75 TRPV1 (0.57) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL12359235 0.74 TRPV1 (0.54) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2241134 0.73 RAB9A (0.55) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8974000 0.72 RAB9A (0.67) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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 750/4885MAPT 4694/4885

“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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