SCHEMBL1962890

SCHEMBL1962890

O=C(O)Nc1ccc(O)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
S1PR1 P21453 1/20 0.42
TOP1 P11387 2/20 0.41
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41
SNCA P37840 1/20 0.41
EPHX2 P34913 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
HDAC3 O15379 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL2092311 0.83 RAB9A (0.65) NPC1RAB9AKMT2ALMNAKDM4E
SCHEMBL1136776 0.82 PKM (0.54) NPC1RAB9AKMT2ALMNAKDM4E
SCHEMBL27761090 0.82 ALDH1A1 (0.57) NPC1RAB9AKMT2ALMNAKDM4E
SCHEMBL4351601 0.82 MAOA (0.59) NPC1RAB9AKMT2ALMNAKDM4E
SCHEMBL5172599 0.80 KMT2A (0.68) NPC1RAB9AKMT2ALMNAHSD17B10
SCHEMBL22279637 0.79 TNIK (0.52) KMT2ALMNAKDM4EEPHX2SMN1; SMN2
SCHEMBL15790439 0.78 RARA (0.51) NPC1RAB9AKMT2AHSD17B10TP53
SCHEMBL17802331 0.78 RAB9A (0.46) NPC1RAB9AKMT2ALMNAHSD17B10
SCHEMBL13862071 0.78 FFAR4 (0.50) NPC1RAB9AKMT2ALMNAKDM4E
SCHEMBL1137180 0.78 MAOB (0.51) NPC1RAB9AKMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4339197-A1 NOVEL UREA DERIVATIVE COMPOUND AS RON INHIBITOR Lg Chem, Ltd. (KR) 2024-03-20 EP disclosed
EP-4339196-A1 NOVEL UREA DERIVATIVE COMPOUND AS RON INHIBITOR LG Chem, Ltd. (KR) 2024-03-20 EP disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
WO-2022270980-A1 NOVEL UREA DERIVATIVE COMPOUND AS RON INHIBITOR 주식회사 엘지화학 2022-12-29 WO disclosed
WO-2022270979-A1 NOVEL UREA DERIVATIVE COMPOUND AS RON INHIBITOR 주식회사 엘지화학 2022-12-29 WO disclosed
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
EP-2374806-A1 OXAZOLIDINON-QUINOLONe HYBRIDes and intermediates for their preparation Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2011-10-12 EP disclosed
EP-2336123-A2 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR Neopharm Co., Ltd. (KR) 2011-06-22 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 NPC1 348/4885RAB9A 3477/4885KMT2A 4530/4885
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 NPC1 748/4885RAB9A 4133/4885KMT2A 1946/4885

“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.