SCHEMBL647048

SCHEMBL647048

CN/N=C/c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.58
LMNA P02545 5/20 0.55
ALDH1A1 P00352 5/20 0.55
GAA P10253 2/20 0.55
KDM4E B2RXH2 1/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
RAB9A P51151 6/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 2/20 0.44
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 4/20 0.44
DDX3X O00571 1/20 0.44
CTH P32929 1/20 0.43

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
SCHEMBL19851158 1.00 NOX1 (0.58) NOX1LMNAALDH1A1GAAKDM4E
SCHEMBL647049 1.00 NOX1 (0.58) NOX1LMNAALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL22577690 0.98 NOX1 (0.56) NOX1LMNAALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL23451375 0.98 NOX1 (0.56) NOX1LMNAALDH1A1GAAKDM4E
SCHEMBL16609588 0.87 KDM4E (0.68) NOX1LMNAALDH1A1GAAKDM4E
SCHEMBL16884710 0.79 NOX1 (0.39) NOX1LMNAALDH1A1GAAKDM4E
SCHEMBL16301933 0.78 GAA (0.59) LMNAALDH1A1GAAKDM4EKMT2A
SCHEMBL17452453 0.76 MEN1 (0.58) LMNAALDH1A1GAAKDM4EKMT2A
SCHEMBL16301892 0.76 KMT2A (0.59) LMNAALDH1A1GAAKDM4EKMT2A
SCHEMBL24000995 0.76 GAA (0.57) LMNAALDH1A1GAAKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4008715-B1 HALOGEN SUBSTITUTED COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF KEYLAB JIANGSU TECH CO LTD (CN) 2024-03-06 EP claimed
EP-2247577-B2 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER IP GMBH (DE) 2022-04-27 EP claimed
EP-2247577-B1 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-12-23 EP claimed
US-8629288-B2 Method for the regioselective synthesis of 1-alky1-3-haloalkyl-pyrazole-4-carboxylic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-14 US claimed
US-20110009642-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-01-13 US claimed
EP-2133341-A1 Method for regioselective synthesis of 1-alkyl-3-haloalkyl-1-pyrazol-4-carbonic acid derivatives Bayer CropScience AG (DE) 2009-12-16 EP claimed
US-4112146-A Polyester resin compositions which are photocurable in the presence of oxygen and an organic hydrazone polymerization initiator CELANESE CORPORATION (US) 1978-09-05 US claimed
US-20260009142-A1 Electrochemical synthesis of pyrazolines and pyrazoles BAYER AG (DE) 2026-01-08 US disclosed
EP-4555128-A1 ELECTROCHEMICAL SYNTHESIS OF PYRAZOLINES AND PYRAZOLES Bayer Aktiengesellschaft (DE) 2025-05-21 EP disclosed
US-20240390399-A1 MATERIALS AND METHODS FOR SUPPRESSING AND/OR TREATING BONE RELATED DISEASES AND SYMPTOMS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2024-11-28 US disclosed
US-20240294524-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2024-09-05 US disclosed
EP-4008715-B1 HALOGEN SUBSTITUTED COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF KEYLAB JIANGSU TECH CO LTD (CN) 2024-03-06 EP disclosed
WO-2024012791-A1 ELECTROCHEMICAL SYNTHESIS OF PYRAZOLINES AND PYRAZOLES BAYER AKTIENGESELLSCHAFT (DE) 2024-01-18 WO disclosed
EP-2133341-A1 Method for regioselective synthesis of 1-alkyl-3-haloalkyl-1-pyrazol-4-carbonic acid derivatives Bayer CropScience AG (DE) 2009-12-16 EP disclosed
US-7449471-B2 5-phenylpyrimidines, their preparation, compositions comprising them and their use BASF AKTIENGESELLSCHAFT (DE) 2008-11-11 US disclosed
US-20070149551-A1 5-PHENYLPYRIMIDINES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE GYPSER ANDREAS 2007-06-28 US disclosed
US-20070066673-A1 Iodopyrazolyl carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-03-22 US disclosed
US-4536508-A ANTIALLERGENS AND ANTIINFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 1985-08-20 US disclosed
US-4112146-A Polyester resin compositions which are photocurable in the presence of oxygen and an organic hydrazone polymerization initiator CELANESE CORPORATION (US) 1978-09-05 US disclosed
US-4000130-A INDOLE DYES, POLYACRYLONITRILE BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 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 (6 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-20240294524-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 NOX1 1862/4885LMNA 3553/4885ALDH1A1 2362/4885
US-20070149551-A1 5-PHENYLPYRIMIDINES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE CBR1, CBR3, NTPCR NOX1 156/4885LMNA 2453/4885ALDH1A1 356/4885
US-20110009642-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic Acid Derivatives ATL3, HCAR3, AADAC NOX1 2552/4885LMNA 4345/4885ALDH1A1 104/4885
US-20260009142-A1 Electrochemical synthesis of pyrazolines and pyrazoles CYP2E1, CYP2F1, CYP4F2 NOX1 280/4885LMNA 3391/4885ALDH1A1 266/4885
US-20240390399-A1 MATERIALS AND METHODS FOR SUPPRESSING AND/OR TREATING BONE RELATED DISEASES AND SYMPTOMS SOST, TSG101, ACP3 NOX1 1756/4885LMNA 700/4885ALDH1A1 1760/4885
US-20070066673-A1 Iodopyrazolyl carboxanilides Q6ZSR9, C1S, MRPL21 NOX1 321/4885LMNA 4754/4885ALDH1A1 1194/4885

“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.