SCHEMBL1800326

SCHEMBL1800326

Cc1cccc(-c2ccc3[nH]c(CCCc4ccc(C(C)(C)C)cc4)nc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ NTRK1 P04629 1/20 0.41
▸ NTRK2 Q16620 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ SERPINE1 P05121 1/20 0.37
▸ ALPL P05186 1/20 0.36
▸ ALPI P09923 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1800091 0.81 TRPV1 (0.46) NTRK1NTRK2TRPV1NPC1RAB9A
SCHEMBL1795289 0.81 TRPV1 (0.49) KMT2ATRPV1MEN1NPC1RAB9A
SCHEMBL1797402 0.79 KMT2A (0.42) KMT2ANTRK1NTRK2HDAC6POLB
SCHEMBL1796993 0.77 TRPV1 (0.46) KMT2ANTRK1NTRK2TRPV1MEN1
Hydrochloric Acid SCHEMBL30034435 0.77 KMT2A (0.48) KMT2ANTRK1NTRK2MEN1NPC1
Hydrochloric Acid SCHEMBL27144878 0.77 KMT2A (0.48) KMT2ANTRK1NTRK2MEN1NPC1
SCHEMBL2952408 0.75 KMT2A (0.61) KMT2ANTRK1MEN1NPC1RAB9A
SCHEMBL1801847 0.74 TRPV1 (0.55) KMT2ANTRK1NTRK2TRPV1MEN1
SCHEMBL12355516 0.72 TRPV1 (0.72) NTRK1NTRK2TRPV1NPC1RAB9A
SCHEMBL8974011 0.72 KMT2A (0.57) KMT2ANTRK1MEN1NPC1RAB9A

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 22 patents — showing the first 20. 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 claimed
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 — — EP claimed
EP-2021330-A2 BENZIMIDAZOLE MODULATORS OF VR1 Janssen Pharmaceutica, N.V. (BE) 2009-02-11 — — EP claimed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 — — WO claimed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 — — US claimed
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — US disclosed
US-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — US disclosed
US-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — US disclosed
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — US disclosed
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — US disclosed
US-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — US disclosed
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 — — US disclosed
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 — — EP disclosed
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 — — EP disclosed
EP-2021330-A2 BENZIMIDAZOLE MODULATORS OF VR1 Janssen Pharmaceutica, N.V. (BE) 2009-02-11 — — EP disclosed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 — — WO disclosed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 — — WO disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 — — US disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 — — US disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 — — 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 (3 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-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 KMT2A 3420/4885NTRK1 2537/4885NTRK2 2593/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 KMT2A 3420/4885NTRK1 2537/4885NTRK2 2593/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 KMT2A 3420/4885NTRK1 2537/4885NTRK2 2593/4885

“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.

Send feedback