SCHEMBL3909893

SCHEMBL3909893

O=C(O)Nc1ccc(F)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PKM P14618 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
HTT P42858 2/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 2/20 0.43
HDAC1 Q13547 2/20 0.42

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
SCHEMBL17938258 0.86 HTT (0.53) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL1704181 0.85 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL30559973 0.83 CA1 (0.58) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL20560682 0.83 NPC1 (0.47) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL422893 0.83 CA1 (0.58) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL23997341 0.80 HPGD (0.51) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL30336857 0.80 HPGD (0.51) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL28007482 0.80 CA1 (0.51) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL1721489 0.80 HTT (0.64) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL5913136 0.79 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2PKMMAPT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043414-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2024-02-08 US disclosed
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
EP-4146644-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2023-03-15 EP disclosed
US-11542259-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-01-03 US disclosed
WO-2021226003-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-11-11 WO disclosed
US-20210040076-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2021-02-11 US disclosed
EP-3743070-A1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS Exelixis, Inc. (US) 2020-12-02 EP disclosed
EP-3720852-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-10-14 EP disclosed
US-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-10-01 US disclosed
US-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 US disclosed
US-9828339-B2 Biphenyl derivatives and methods for preparing same DONG-A ST CO., LTD (KR) 2017-11-28 US disclosed
US-20170001983-A1 TRPA1 MODULATORS ALGOMEDIX, INC. 2017-01-05 US disclosed
US-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG-A ST CO., LTD (KR) 2016-06-23 US disclosed
EP-3029026-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME Dong-A ST Co., Ltd. (KR) 2016-06-08 EP disclosed
EP-3029026-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME Dong-A ST Co., Ltd. (KR) 2016-06-08 EP disclosed
WO-2015016511-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME 동아에스티 주식회사 (KR) 2015-02-05 WO disclosed
EP-1711183-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-04-01 EP disclosed
US-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists LAINE DRAMANE I 2008-10-09 US disclosed
EP-1711183-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-10-18 EP disclosed
WO-2005067537-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-07-28 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 (9 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-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME CHRM2, CHRM3, CHRM5 NPC1 2102/4885RAB9A 814/4885SMN1; SMN2 1664/4885
US-11542259-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, MAP3K6, MAP3K1 NPC1 1305/4885RAB9A 1262/4885SMN1; SMN2 1760/4885
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 NPC1 657/4885RAB9A 3126/4885SMN1; SMN2 3247/4885
US-10428049-B2 TRPA1 modulators TRPA1, TRPV1, TRPV2 NPC1 709/4885RAB9A 3349/4885SMN1; SMN2 859/4885
US-20170001983-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 NPC1 709/4885RAB9A 3349/4885SMN1; SMN2 859/4885
US-20210040076-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, MAP3K6, MAP3K1 NPC1 1305/4885RAB9A 1262/4885SMN1; SMN2 1760/4885
US-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 CHRM2, CHRM3, CHRM5 NPC1 4519/4885RAB9A 3359/4885SMN1; SMN2 1439/4885
US-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 NPC1 2708/4885RAB9A 2952/4885SMN1; SMN2 2627/4885
US-20240043414-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, MAP3K6, MAP3K1 NPC1 1305/4885RAB9A 1262/4885SMN1; SMN2 1760/4885

“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.