SCHEMBL1798560

SCHEMBL1798560

Fc1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ PKM P14618 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ HSP90AA1 P07900 1/20 0.55
▸ TRPV1 Q8NER1 8/20 0.54
▸ TUBB4A P04350 3/20 0.51
▸ TUBB P07437 3/20 0.51
▸ TUBA3C P0DPH7 3/20 0.51
▸ TUBA1B P68363 3/20 0.51
▸ TUBA4A P68366 3/20 0.51
▸ TUBB4B P68371 3/20 0.51
▸ TUBB3 Q13509 3/20 0.51
▸ TUBB2A Q13885 3/20 0.51
▸ TUBB8 Q3ZCM7 3/20 0.51

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
SCHEMBL1798566 1.00 KDM4E (0.55) KDM4ENPC1RAB9AMEN1ALDH1A1
SCHEMBL1796256 0.87 NPC1 (0.68) KDM4ENPC1RAB9AMEN1ALDH1A1
SCHEMBL1796258 0.87 NPC1 (0.68) KDM4ENPC1RAB9AMEN1ALDH1A1
SCHEMBL1795683 0.86 KDM4E (0.51) KDM4ENPC1RAB9AMEN1ALDH1A1
SCHEMBL1795687 0.86 KDM4E (0.51) KDM4ENPC1RAB9AMEN1ALDH1A1
SCHEMBL28707312 0.85 NPC1 (0.67) KDM4ENPC1RAB9AMEN1ALDH1A1
SCHEMBL29467913 0.85 NPC1 (0.67) KDM4ENPC1RAB9AMEN1ALDH1A1
SCHEMBL1799015 0.84 KDM4E (0.51) KDM4ENPC1RAB9AMEN1ALDH1A1
SCHEMBL1799018 0.84 KDM4E (0.51) KDM4ENPC1RAB9AMEN1ALDH1A1
SCHEMBL1798200 0.82 NPC1 (0.51) KDM4ENPC1RAB9AMEN1ALDH1A1

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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