SCHEMBL4568268

SCHEMBL4568268

Fc1cc2cc(-c3ccccc3)[nH]c2cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KDM4E B2RXH2 6/20 0.47
CYP19A1 P11511 4/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
HPGD P15428 5/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
F2 P00734 2/20 0.42
PPARG P37231 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL4568263 0.83 NPC1 (0.54) NPC1RAB9AKDM4ECYP19A1ALDH1A1
SCHEMBL4568262 0.83 NPC1 (0.49) NPC1RAB9AKDM4ECYP19A1ALDH1A1
SCHEMBL12124985 0.79 NPC1 (0.75) NPC1RAB9AKDM4ECYP19A1ALDH1A1
SCHEMBL4568264 0.78 ALDH1A1 (0.58) NPC1RAB9AKDM4ECYP19A1ALDH1A1
SCHEMBL4568269 0.78 NPC1 (0.53) NPC1RAB9AKDM4ECYP19A1ALDH1A1
SCHEMBL15058606 0.74 CYP19A1 (0.58) NPC1RAB9AKDM4ECYP19A1ALDH1A1
SCHEMBL4568291 0.74 NPC1 (0.53) NPC1RAB9AKDM4ECYP19A1ALDH1A1
SCHEMBL4884700 0.74 NPC1 (0.58) NPC1RAB9AKDM4ECYP19A1ALDH1A1
SCHEMBL4568254 0.74 RAB9A (0.57) NPC1RAB9AKDM4ECYP19A1ALDH1A1
SCHEMBL4568282 0.73 NPC1 (0.47) NPC1RAB9AKDM4ECYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R NPC1 1150/4885RAB9A 1646/4885KDM4E 3521/4885

“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.