SCHEMBL901955

SCHEMBL901955

O=C(O)NCCc1cccc(Br)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
CNR1 P21554 1/20 0.59
TAAR1 Q96RJ0 2/20 0.59
PLAAT5 Q96KN8 2/20 0.53
PLAAT4 Q9UL19 2/20 0.53
PLAAT3 P53816 1/20 0.49
PLAAT2 Q9NWW9 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
FFAR1 O14842 1/20 0.48

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
SCHEMBL1794493 0.90 NPC1 (0.52) NPC1RAB9ACNR1TAAR1ALDH1A1
SCHEMBL16444681 0.89 NPC1 (0.56) NPC1RAB9ACNR1TAAR1PLAAT5
SCHEMBL6477205 0.89 HSP90AA1 (0.55) NPC1RAB9ACNR1TAAR1MEN1
SCHEMBL1010819 0.85 TAAR1 (0.62) NPC1RAB9ACNR1TAAR1PLAAT5
SCHEMBL17540644 0.83 CNR1 (0.60) NPC1RAB9ACNR1TAAR1PLAAT5
SCHEMBL26988011 0.83 MTNR1A (0.59) NPC1RAB9ACNR1TAAR1PLAAT5
SCHEMBL1750050 0.82 CYP1A2 (0.58) NPC1RAB9AFFAR1FFAR4HPGD
SCHEMBL31173308 0.82 MTNR1A (0.67) NPC1RAB9ACNR1TAAR1MTNR1A
SCHEMBL2016946 0.82 TAAR1 (0.58) NPC1RAB9ACNR1TAAR1PLAAT5
SCHEMBL8545228 0.82 HDAC3 (0.56) NPC1RAB9ACNR1TAAR1PLAAT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024030000-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2024-02-08 WO disclosed
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-03 US disclosed
US-20190177340-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-06-13 US disclosed
EP-3475289-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE Bristol-Myers Squibb Company (US) 2019-05-01 EP disclosed
CN-108699038-A Loop coil heptane salicylamide and related compound as Rock inhibitor 百时美施贵宝公司 2018-10-23 CN disclosed
WO-2018005336-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-04 WO disclosed
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
EP-2847174-A1 PYRIMIDINONE CARBOXAMIDES AS INHIBITORS OF ENDOTHELIAL LIPASE Bristol-Myers Squibb Company (US) 2015-03-18 EP disclosed
WO-2013151923-A1 PYRIMIDINONE CARBOXAMIDES AS INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-10 WO disclosed
WO-2013106761-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-07-18 WO disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-08 US disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US disclosed
EP-1943213-A2 PPAR MODULATING BIAROMATIC COMPOUNDS Galderma Research & Development (FR) 2008-07-16 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2007049158-A2 PPAR MODULATING BIAROMATIC COMPOUNDS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-03 WO disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed
CN-1468226-A Biphenyl derivatives and their use as ppar-gamma receptor activators �������о�����չ˽�����޹�˾ 2004-01-14 CN 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 (5 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-20190177340-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 NPC1 1157/4885RAB9A 3826/4885CNR1 2662/4885
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 NPC1 76/4885RAB9A 3641/4885CNR1 335/4885
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS PPARG, PPARD, PPARA NPC1 1876/4885RAB9A 2681/4885CNR1 203/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 NPC1 790/4885RAB9A 483/4885CNR1 380/4885
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase EPX, MPO, SERPINB1 NPC1 1157/4885RAB9A 3826/4885CNR1 2662/4885

“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.