SCHEMBL3358628

SCHEMBL3358628

CONC(=O)c1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
PKM P14618 3/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.56
CDK5 Q00535 1/20 0.56
PAX8 Q06710 1/20 0.56
CDK5R1 Q15078 1/20 0.56
ALPL P05186 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56

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
SCHEMBL11078628 1.00 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9APKMMAPT
SCHEMBL27772395 0.82 ALDH1A1 (0.56) SMN1; SMN2NPC1RAB9APKMMAPT
SCHEMBL28287259 0.82 GRM4 (0.54) SMN1; SMN2NPC1RAB9APKMMAPT
SCHEMBL11082962 0.81 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9APKMMAPT
SCHEMBL11082959 0.81 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9APKMMAPT
SCHEMBL30037891 0.79 ALDH1A1 (0.61) SMN1; SMN2NPC1RAB9APKMMAPT
SCHEMBL29576494 0.79 KDM4E (0.68) SMN1; SMN2NPC1RAB9APKMMAPT
SCHEMBL30166417 0.79 KDM4E (0.68) SMN1; SMN2NPC1RAB9APKMMAPT
SCHEMBL162189 0.79 ALDH1A1 (0.61) SMN1; SMN2NPC1RAB9APKMMAPT
SCHEMBL109657 0.79 HDAC3 (0.61) SMN1; SMN2NPC1RAB9AHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN claimed
JP-57120597-A None JP disclosed
CN-119585260-A Heterocyclic compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-03-07 CN disclosed
US-11931348-B2 Methods of treating elevated plasma cholesterol Montréal Heart Institute (CA) 2024-03-19 US disclosed
WO-2024041613-A1 HETEROCYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL USE THEREOF 江苏恒瑞医药股份有限公司 2024-02-29 WO disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN disclosed
US-20230088095-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL Montréal Heart Institute (CA) 2023-03-23 US disclosed
CN-109641854-A Integration stress access regulator 卡里科生命科学有限责任公司 2019-04-16 CN disclosed
US-8912342-B2 Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines Westfälische Wilhelms Universität Münster (DE) 2014-12-16 US disclosed
EP-2657228-A1 Pyrazole synthesis by the coupling of carboxylic acid derivatives and enamines Westfälische Wilhelms-Universität Münster (DE) 2013-10-30 EP disclosed
US-20130204011-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES WESTFAELISCHE WILHELMS UNIVERSITAET MUENSTER (DE) 2013-08-08 US disclosed
US-20130102600-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2013-04-25 US disclosed
WO-2010077992-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-07-08 WO disclosed
WO-2010033906-A2 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-03-25 WO disclosed
EP-0065039-B1 AN O-(N-ALKOXY-PYRIDINECARBOXIMIDOYL)PHOSPHATE, A PROCESS FOR PRODUCING THE SAME, AND AN INSECTICIDAL OR ACARICIDAL COMPOSITION CONTAINING THE SAME ISHIHARA SANGYO KAISHA LTD. (JP) 1984-08-22 EP disclosed
EP-0065039-A1 An O-(N-alkoxy-pyridinecarboximidoyl)phosphate, a process for producing the same, and an insecticidal or acaricidal composition containing the same ISHIHARA SANGYO KAISHA LTD. (JP) 1982-11-24 EP disclosed
JP-S57120597-A ORGANOPHOSPHORUS COMPOUND AND INSECTICIDE CONTAINING THE SAME ISHIHARA SANGYO KAISHA LTD 1982-07-27 JP disclosed
US-4327089-A O-(N-Alkoxy-pyridinecarboximidoyl) phosphates, process for producing the same, and insecticidal or acaridical compositions containing the same ISHIHARA SANGYO KAISHA LTD. (JP) 1982-04-27 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 (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-20130204011-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES PPOX, PDK2, PNPO SMN1; SMN2 3647/4885NPC1 3142/4885RAB9A 3942/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 SMN1; SMN2 1813/4885NPC1 1577/4885RAB9A 669/4885
US-11931348-B2 Methods of treating elevated plasma cholesterol CETP, LDLR, APOB SMN1; SMN2 3911/4885NPC1 11/4885RAB9A 2649/4885
US-20230088095-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL CETP, LDLR, APOB SMN1; SMN2 3911/4885NPC1 11/4885RAB9A 2649/4885
US-20130102600-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease FAH, SLC10A1, OAT SMN1; SMN2 1282/4885NPC1 653/4885RAB9A 3199/4885

“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.