SCHEMBL2437986

SCHEMBL2437986

COC(=O)Cc1ccc(OCCBr)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
PDE4A P27815 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.46
LTA4H P09960 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL3985473 0.92 SMN1; SMN2 (0.53) ALDH1A1NPC1RAB9ACYP4F2CYP4A11
SCHEMBL6288240 0.86 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ACYP4F2CYP4A11
SCHEMBL2628190 0.85 SMN1; SMN2 (0.59) ALDH1A1NPC1RAB9ACYP4F2CYP4A11
SCHEMBL3333378 0.85 KDM4E (0.69) ALDH1A1NPC1RAB9ACYP4F2CYP4A11
SCHEMBL10076459 0.85 ALDH1A1 (0.55) ALDH1A1NPC1RAB9ACYP4F2CYP4A11
SCHEMBL2633187 0.85 CYP4F2 (0.64) ALDH1A1NPC1RAB9ACYP4F2CYP4A11
SCHEMBL7969106 0.84 TBXAS1 (0.57) ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL28549048 0.84 ADRB2 (0.54) ALDH1A1KMT2AMAPTLTA4HLMNA
SCHEMBL25378005 0.83 ALDH1A1 (0.57) ALDH1A1NPC1RAB9ACYP4F2CYP4A11
SCHEMBL926955 0.83 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ACYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4482832-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS Les Laboratoires Servier (FR) 2025-01-01 EP disclosed
CN-119053587-A 5- [7- (3, 4-Dihydro-1H-isoquinoline-2-carbonyl) -1,2,3,4 tetrahydroisoquinolin-6-yl ] -1H-pyrrole-3-carboxamide derivatives, pharmaceutical compositions containing same and use thereof as pro-apoptotic agents 法国施维雅药厂 2024-11-29 CN disclosed
WO-2023161317-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2023-08-31 WO disclosed
EP-3397616-B1 LSD1 INHIBITORS MIRATI THERAPEUTICS INC (US) 2020-06-10 EP disclosed
EP-3397616-B1 LSD1 INHIBITORS MIRATI THERAPEUTICS INC (US) 2020-06-10 EP disclosed
US-10233152-B2 LSD1 inhibitors Mirati Therapeutics, Inc. (US) 2019-03-19 US disclosed
EP-3397616-A1 LSD1 INHIBITORS Mirati Therapeutics, Inc. (US) 2018-11-07 EP disclosed
US-20180127369-A1 LSD1 Inhibitors Mirati Therapeutics, Inc. 2018-05-10 US disclosed
US-9809541-B2 LSD1 inhibitors Mirati Therapeutics, Inc. (US) 2017-11-07 US disclosed
US-9809541-B2 LSD1 inhibitors Mirati Therapeutics, Inc. (US) 2017-11-07 US disclosed
US-20050004360-A1 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, INC. 2005-01-06 US disclosed
US-20040082575-A1 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-6686351-B2 PARTIALLY HYDROGENATED FUSED INDENE, NAPHTHALENE, ISOINDOLE, ISOQUINOLINE, BENZOAZEPINE AND BENZOCYCLOHEPTENE DERIVATIVES SUBSTITUTED BY A HYDROXY GROUP OR DERIVATIVE AND AN ARYL OR N-HETEROARYL GROUP SIGNAL PHARMACEUTICALS, INC. 2004-02-03 US disclosed
US-6593322-B1 Methods are disclosed for modulating ER- beta in cell and/or tissues expressing the same, including cells and/ or tissue that preferentially ER- beta . Methods for treating estrogen-related conditions are also disclosed, including SIGNAL PHARMACEUTICALS, INC. 2003-07-15 US disclosed
EP-1322617-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-07-02 EP disclosed
US-20030087901-A1 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, INC. 2003-05-08 US disclosed
US-6436923-B1 ESTROGEN ANTAGONISTS AND/OR AGONISTS FOR TREATING ESTROGEN-RELATED CONDITIONS SIGNAL PHARMACEUTICALS, INC. 2002-08-20 US disclosed
WO-2002024653-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-03-28 WO disclosed
EP-1163225-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2001-12-19 EP disclosed
WO-2000055137-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2000-09-21 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 (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-10233152-B2 LSD1 inhibitors KDM1B, KDM1A, KDM3A ALDH1A1 364/4885NPC1 1310/4885RAB9A 3570/4885
US-20050004360-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESR2, ESRRA ALDH1A1 1394/4885NPC1 2225/4885RAB9A 2960/4885
US-20030087901-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESRRA, ESR2 ALDH1A1 1511/4885NPC1 2742/4885RAB9A 3226/4885
US-20040082575-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESRRA, ESR2 ALDH1A1 1577/4885NPC1 2480/4885RAB9A 3511/4885
US-20180127369-A1 LSD1 Inhibitors KDM1B, KDM1A, KDM3A ALDH1A1 364/4885NPC1 1310/4885RAB9A 3570/4885

“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.