SCHEMBL4625019

SCHEMBL4625019

Cn1nc(C(F)(F)F)c(C(=O)O)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
CYP1A2 P05177 5/20 0.37
CYP2C19 P33261 5/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37

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
SCHEMBL31735685 0.86 POLB (0.45) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL27735788 0.84 POLB (0.44) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4625215 0.81 NPC1 (0.48) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4191354 0.80 CYP1A2 (0.41) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8305301 0.80 SMN1; SMN2 (0.43) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL841261 0.79 MEN1 (0.56) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL20551143 0.78 KDM4E (0.38) POLBLMNANPC1ALDH1A1GABRP
SCHEMBL4625129 0.78 KDM4E (0.47) POLBKMT2ASMN1; SMN2LMNANPC1
SCHEMBL4625429 0.78 PLAT (0.43) POLBMEN1KMT2ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL6737822 0.77 MEN1 (0.55) POLBMEN1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025245472-A1 COMPOUNDS AND RELATED METHODS USEFUL FOR DEGRADATION OF CYCLIN K AND INHIBITION OF CYCLIN DEPENDENT KINASES REMIX THERAPEUTICS INC. (US) 2025-11-27 WO disclosed
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 US disclosed
CN-110914263-A Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors 格兰马克药品股份有限公司 2020-03-24 CN disclosed
EP-3619209-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2020-03-11 EP disclosed
WO-2018203298-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-08 WO disclosed
CN-101215289-A 3-substituted phenyl-pyrazolo[3,4-d][1,2,3]triazin-4-one compounds with PPO restraining activity and weeding activity UNIV NANKAI (CN) 2008-07-09 CN disclosed
EP-1067121-B1 5-Aminopyrazole-4-carboxylate derivative and process for preparing the same MITSUI CHEMICALS INC (JP) 2008-05-28 EP disclosed
CN-1154639-C 5-aminopyrazole-4-carboxylic ester derivatives and its preparing method ������ѧ��ʽ���� 2004-06-23 CN disclosed
US-6235911-B1 5-aminopyrazole-4-carboxylate derivative and process for preparing the same MITSUI CHEMICALS, INC. (JP) 2001-05-22 US disclosed
CN-1280127-A 5-aminopyrazole-4-carboxylic ester derivatives and its preparing method MITSUI CHEMICAL IND CO LTD (JP) 2001-01-17 CN disclosed
EP-1067121-A2 5-Aminopyrazole-4-carboxylate derivative and process for preparing the same Mitsui Chemicals, Inc. (JP) 2001-01-10 EP 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 (1 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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 POLB 560/4885MEN1 4712/4885KMT2A 3820/4885

“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.