SCHEMBL1799015

SCHEMBL1799015

C(=C/c1nc2cc(-c3ccccc3)ccc2[nH]1)\c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ PKM P14618 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ RELA Q04206 1/20 0.47
▸ MAPT P10636 5/20 0.47
▸ GLA P06280 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CHEK1 O14757 2/20 0.46
▸ TRPV1 Q8NER1 6/20 0.41
▸ PTGS1 P23219 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL1799018 1.00 KDM4E (0.51) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1798200 0.85 NPC1 (0.51) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1798202 0.85 NPC1 (0.51) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1798560 0.84 KDM4E (0.55) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1796256 0.84 NPC1 (0.68) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1796258 0.84 NPC1 (0.68) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1798566 0.84 KDM4E (0.55) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1795683 0.81 KDM4E (0.51) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1795687 0.81 KDM4E (0.51) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1799803 0.80 TRPV1 (0.67) TRPV1

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-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-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 — — 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 KDM4E 2796/4885NPC1 750/4885RAB9A 3985/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 KDM4E 2796/4885NPC1 750/4885RAB9A 3985/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 KDM4E 2796/4885NPC1 750/4885RAB9A 3985/4885

“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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