SCHEMBL23743192

SCHEMBL23743192

Fc1ccc(-c2nc3ccccc3[nH]2)cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.59
RAB9A P51151 10/20 0.59
SMN1; SMN2 Q16637 9/20 0.59
KDM4E B2RXH2 8/20 0.59
GAA P10253 1/20 0.53
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 9/20 0.51
PKM P14618 5/20 0.51
MAPT P10636 5/20 0.51
HPGD P15428 4/20 0.51
HSD17B10 Q99714 4/20 0.51
TP53 P04637 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GFER P55789 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 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
SCHEMBL14004135 0.85 TRPV1 (0.51) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL24075192 0.84 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10DGAT1
SCHEMBL3336689 0.83 NPC1 (0.68) NPC1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL23743186 0.81 TNKS (0.66) NPC1RAB9AKDM4EALDH1A1PKM
SCHEMBL21642815 0.78 ALOX5 (0.50) KDM4EALDH1A1HPGDHSD17B10NPBWR1
SCHEMBL29784963 0.77 HDAC6 (0.71) NPC1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL724591 0.77 HDAC6 (0.71) NPC1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL21705326 0.77 NPBWR1 (0.67) NPC1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL6258373 0.77 NPC1 (0.69) NPC1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL30011485 0.77 NPBWR1 (0.67) NPC1RAB9ASMN1; SMN2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246109-A1 POTENT AND SELECTIVE INHIBITORS OF CYTOCHROME P450 UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2021-08-12 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-20210246109-A1 POTENT AND SELECTIVE INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP1B1, CYP27A1 NPC1 751/4885RAB9A 1418/4885SMN1; SMN2 3044/4885

“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.