SCHEMBL4117692

SCHEMBL4117692

FC(F)(F)c1ccccc1-c1nc2ccccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.63
RAB9A P51151 9/20 0.63
ALDH1A1 P00352 6/20 0.63
PKM P14618 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
HDAC3 O15379 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
KDM4E B2RXH2 7/20 0.58
NPSR1 Q6W5P4 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
HPGD P15428 4/20 0.58
HSD17B10 Q99714 3/20 0.58
GAA P10253 2/20 0.58
GPR55 Q9Y2T6 1/20 0.58
GLA P06280 1/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
ABCB11 O95342 1/20 0.58

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
SCHEMBL31679092 1.00 NPC1 (0.63) NPC1RAB9AALDH1A1PKML3MBTL1
SCHEMBL10740426 0.84 HDAC3 (0.53) NPC1RAB9AALDH1A1PKML3MBTL1
SCHEMBL23854442 0.83 NPC1 (0.63) NPC1RAB9AALDH1A1PKML3MBTL1
SCHEMBL24049714 0.82 HDAC3 (0.61) NPC1RAB9AALDH1A1PKML3MBTL1
SCHEMBL227743 0.82 NPC1 (0.78) NPC1RAB9AALDH1A1PKML3MBTL1
SCHEMBL19683989 0.81 NPC1 (0.59) NPC1RAB9AALDH1A1PKML3MBTL1
SCHEMBL801882 0.78 GUSB (0.62) ALDH1A1PKMKDM4EHPGDHSD17B10
SCHEMBL3171348 0.78 HDAC3 (0.77) NPC1RAB9AL3MBTL1HDAC3HDAC7
SCHEMBL2243125 0.77 NPC1 (1.00) NPC1RAB9AALDH1A1PKML3MBTL1
SCHEMBL31027904 0.77 NPC1 (1.00) NPC1RAB9AALDH1A1PKML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300877-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-09-30 US disclosed
US-11111217-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-09-07 US disclosed
US-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 US disclosed
US-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 US disclosed
US-20210061769-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-03-04 US disclosed
US-10851066-B2 2-arylbenzimidazoles as PPARGC1A activators for treating neurodegenerative diseases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-12-01 US disclosed
US-20200299244-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-09-24 US disclosed
WO-2007117778-A9 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS INC (US) 2009-05-22 WO disclosed
EP-1986747-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS Kalypsys, Inc. (US) 2008-11-05 EP disclosed
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 US disclosed
WO-2007117778-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2007-10-18 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 (7 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-20200299244-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD NPC1 379/4885RAB9A 1910/4885ALDH1A1 2116/4885
US-20210300877-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD NPC1 989/4885RAB9A 2214/4885ALDH1A1 1659/4885
US-20210061769-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD NPC1 502/4885RAB9A 2015/4885ALDH1A1 1649/4885
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS NOS2, NOS1, NQO2 NPC1 1303/4885RAB9A 1758/4885ALDH1A1 1044/4885
US-11090289-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B NPC1 483/4885RAB9A 2068/4885ALDH1A1 2497/4885
US-11111217-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases PPARG, PPARA, PPARD NPC1 502/4885RAB9A 2015/4885ALDH1A1 1649/4885
US-10851066-B2 2-arylbenzimidazoles as PPARGC1A activators for treating neurodegenerative diseases PPARG, PPARA, PPARD NPC1 379/4885RAB9A 1910/4885ALDH1A1 2116/4885

“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.