SCHEMBL14083379

SCHEMBL14083379

COc1cccnc1-c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.55
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ AURKB Q96GD4 1/20 0.53
▸ NPC1 O15118 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ TSHR P16473 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ THRB P10828 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ POLB P06746 1/20 0.49

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
SCHEMBL14083301 0.93 AURKB (0.57) TRPV1MEN1KMT2AAURKBNPC1
SCHEMBL14083377 0.92 AURKB (0.54) MEN1KMT2AAURKBNPC1SMN1; SMN2
SCHEMBL14083384 0.91 TRPV1 (0.55) TRPV1MEN1KMT2AAURKBNPC1
SCHEMBL14083380 0.90 GRM4 (0.61) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL14083383 0.90 TRPV1 (0.62) TRPV1SMN1; SMN2TP53MAPT
SCHEMBL14083096 0.89 KCNQ3 (0.56) TRPV1MEN1KMT2AAURKBRAB9A
SCHEMBL14083399 0.89 KCNQ3 (0.62) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL14083381 0.89 TRPV1 (0.63) TRPV1KCNQ3KCNQ2
SCHEMBL14083392 0.89 SMN1; SMN2 (0.56) MEN1KMT2AAURKBSMN1; SMN2TP53
SCHEMBL14083374 0.88 MAPT (0.53) TRPV1MEN1KMT2AAURKBNPC1

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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 — — US disclosed
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 — — US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 — — US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 — — 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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 TRPV1 1/4885MEN1 4218/4885KMT2A 4272/4885

“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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