SCHEMBL857446

SCHEMBL857446

CS(=O)(=O)c1cc(Br)cnc1N

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.50
SHMT2 P34897 1/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
PIK3C3 Q8NEB9 1/20 0.43
MAPT P10636 1/20 0.41
RAB9A P51151 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
SCHEMBL393051 0.82 KMT2A (0.57) NPC1KMT2AMEN1ALDH1A1HTT
SCHEMBL855484 0.81 NPC1 (0.54) NPC1KMT2AMEN1ALDH1A1HTT
SCHEMBL859136 0.81 NPC1 (0.53) NPC1KMT2AMEN1ALDH1A1HTT
SCHEMBL394496 0.81 NPC1 (0.53) NPC1KMT2AMEN1ALDH1A1HTT
SCHEMBL740340 0.80 NPC1 (0.64) NPC1KMT2AMEN1ALDH1A1HTT
SCHEMBL16996868 0.80 NPC1 (0.52) NPC1KMT2AMEN1ALDH1A1HTT
SCHEMBL732352 0.80 NPC1 (0.52) NPC1KMT2AMEN1ALDH1A1HTT
SCHEMBL18824500 0.80 NPC1 (0.41) NPC1KMT2AMEN1ALDH1A1HTT
Hydrochloric Acid SCHEMBL27799005 0.79 NPC1 (0.51) NPC1KMT2AMEN1ALDH1A1HTT
SCHEMBL24576774 0.78 NOS3 (0.52) NPC1KMT2AMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340551-A1 SMALL MOLECULE MODULATORS OF STAT6 GILEAD SCIENCES INC (US) 2025-11-06 US disclosed
US-20250325677-A1 STAT6 DEGRADERS GILEAD SCIENCES INC (US) 2025-10-23 US disclosed
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-10-14 US disclosed
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2023-03-16 US disclosed
WO-2022135430-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2022-06-30 WO disclosed
US-11352356-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-06-07 US disclosed
CN-108137555-B Indolin-2-one derivatives useful in the treatment of CNS disorders 豪夫迈·罗氏有限公司 2021-02-19 CN disclosed
EP-3765459-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF Shire Human Genetic Therapies, Inc. (US) 2021-01-20 EP disclosed
CN-112135825-A Plasma kallikrein inhibitors and uses thereof 夏尔人类遗传性治疗公司 2020-12-25 CN disclosed
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2020-10-08 US disclosed
WO-2014111496-A1 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-07-24 WO disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
CN-102459249-A Benzoxazepines based p13k/mt0r inhibitors against proliferative diseases EXELIXIS INC 2012-05-16 CN disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed
US-20100152112-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2010-06-17 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 (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-20100152112-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, PIP4K2A NPC1 3641/4885KMT2A 3045/4885MEN1 1896/4885
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA NPC1 1583/4885KMT2A 2645/4885MEN1 3183/4885
US-11352356-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 NPC1 2188/4885KMT2A 1382/4885MEN1 686/4885
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 NPC1 2188/4885KMT2A 1382/4885MEN1 686/4885
US-20250325677-A1 STAT6 DEGRADERS STAT6, STAT5B, STAT1 NPC1 2139/4885KMT2A 440/4885MEN1 3011/4885
US-20250340551-A1 SMALL MOLECULE MODULATORS OF STAT6 STAT6, STAT1, STAT5B NPC1 1677/4885KMT2A 684/4885MEN1 3668/4885
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 NPC1 2188/4885KMT2A 1382/4885MEN1 686/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA NPC1 1132/4885KMT2A 3064/4885MEN1 3264/4885
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 NPC1 2188/4885KMT2A 1382/4885MEN1 686/4885

“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.