SCHEMBL8547925

SCHEMBL8547925

Fc1ccc(C=Cc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.76
RAB9A P51151 12/20 0.76
KDM4E B2RXH2 9/20 0.76
ALDH1A1 P00352 8/20 0.76
KMT2A Q03164 8/20 0.76
MEN1 O00255 7/20 0.76
SMN1; SMN2 Q16637 7/20 0.76
HPGD P15428 4/20 0.76
PKM P14618 3/20 0.76
HSP90AA1 P07900 1/20 0.76
MAPT P10636 8/20 0.72
LMNA P02545 4/20 0.72
GAA P10253 3/20 0.72
GLA P06280 2/20 0.72
TP53 P04637 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.65
HTT P42858 3/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55

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
SCHEMBL8547923 1.00 NPC1 (0.76) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL31305038 0.92 NPC1 (0.89) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL537904 0.86 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL29660212 0.86 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL537905 0.86 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL1086983 0.84 ALDH1A1 (0.81) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL1086985 0.84 ALDH1A1 (0.81) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL29539476 0.84 ALDH1A1 (0.81) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL5572505 0.84 NPC1 (0.76) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL5572508 0.84 NPC1 (0.76) NPC1RAB9AKDM4EALDH1A1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830345-A1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-25 EP claimed
WO-1996039391-A1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-12 WO claimed
US-20210395203-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS PLEX PHARMACEUTICALS, INC. 2021-12-23 US disclosed
US-20200399219-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS PLEX PHARMACEUTICALS, INC. 2020-12-24 US disclosed
EP-3672934-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS Plex Pharmaceuticals, Inc. (US) 2020-07-01 EP disclosed
WO-2019040463-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS PLEX PHARMACEUTICALS, INC. (US) 2019-02-28 WO disclosed
EP-0830345-A1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-25 EP disclosed
WO-1996039391-A1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-12 WO 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 (2 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-20200399219-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS FKBP2, FKBP1B, FKBP1A NPC1 1443/4885RAB9A 1223/4885KDM4E 4652/4885
US-20210395203-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS FKBP2, FKBP1B, FKBP1A NPC1 1443/4885RAB9A 1223/4885KDM4E 4652/4885

“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.