SCHEMBL1772255

SCHEMBL1772255

CS(=O)(=O)c1cccc(N=C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
TRPA1 O75762 1/20 0.42
NOS1 P29475 1/20 0.41
CA2 P00918 6/20 0.40
CA9 Q16790 6/20 0.40
CA12 O43570 4/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 3/20 0.39
GLO1 Q04760 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CA7 P43166 2/20 0.37
SENP3 Q9H4L4 2/20 0.36
SENP2 Q9HC62 2/20 0.36
SENP1 Q9P0U3 2/20 0.36
SUMO2 P61956 1/20 0.36
SUMO1 P63165 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL483895 0.85 LMNA (0.45) CYP3A4TRPA1NOS1CA2CA9
SCHEMBL14257779 0.84 MIF (0.45) CYP3A4NOS1CA2CA9CA12
SCHEMBL11296127 0.81 TDP1 (0.44) CYP3A4TRPA1NOS1CA2CA9
SCHEMBL6313736 0.81 CA2 (0.40) CYP3A4TRPA1NOS1CA2CA9
SCHEMBL241807 0.81 CA2 (0.60) NOS1CA2CA9CA12CA1
SCHEMBL11298641 0.81 SENP3 (0.52) CYP3A4TRPA1NOS1CA2CA9
SCHEMBL11291209 0.81 CYP3A4 (0.39) CYP3A4TRPA1NOS1CA2CA9
SCHEMBL4091937 0.81 RAB9A (0.47) CA2CA9CA12SMN1; SMN2
SCHEMBL183418 0.80 CA2 (0.39) CYP3A4TRPA1NOS1CA2CA9
Hydrochloric Acid SCHEMBL11296130 0.80 SENP3 (0.51) CYP3A4TRPA1NOS1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493436-B Amino substituted pyridine derivative and preparation method thereof, pharmaceutical composition and application 中国医学科学院药物研究所 2023-10-20 CN disclosed
CN-113493436-A Amino-substituted pyridine derivative and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2021-10-12 CN disclosed
WO-2017024996-A1 HYDROXY AMIDINE DERIVATIVE, PREPARATION METHOD AND USE IN MEDICINE THEREOF 江苏恒瑞医药股份有限公司 2017-02-16 WO disclosed
CN-101925301-B Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors HIGH POINT PHARMACEUTICALS LLC 2014-09-17 CN disclosed
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-08-21 US disclosed
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-08-21 US disclosed
US-8778941-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-07-15 US disclosed
US-8778941-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-07-15 US disclosed
US-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
US-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
US-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-05-12 US disclosed
CN-101925301-A Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors HIGH POINT PHARMACEUTICALS LLC 2010-12-22 CN disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
CN-1030682-C Method for preparating N-aryl-3-aryl-4.5-dihydro-IH-pyrazole-l-carboxamides ROHM AND HASS CORP (US) 1996-01-17 CN disclosed
EP-0153127-B1 N-ARYL-3-ARYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDES, PROCESSES FOR THEIR PRODUCTION, INSECTICIDAL COMPOSITIONS CONTAINING THEM AND METHODS FOR COMBATTING INSECTS ROHM AND HAAS COMPANY (US) 1991-04-03 EP disclosed
US-4863947-A PESTICIDES, INSECTICIDES ROHM AND HAAS (US) 1989-09-05 US disclosed
US-4663341-A Insecticidal n-aryl-3-aryl-4,5-dihydro-1h-pyrazole-1-carboxamides ROHM AND HAAS COMPANY (US) 1987-05-05 US disclosed
CN-85101497-A Process for the preparation of N-aryl-3-aryl-4, 5-dihydro-1H-pyrazole-1-carboxamides 1986-07-16 CN disclosed
EP-0153127-A2 N-aryl-3-aryl-4,5-dihydro-1H-pyrazole-1-carboxamides, processes for their production, insecticidal compositions containing them and methods for combatting insects ROHM AND HAAS COMPANY (US) 1985-08-28 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 (4 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-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CYP3A4 3732/4885TRPA1 9/4885NOS1 3263/4885
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CYP3A4 3732/4885TRPA1 9/4885NOS1 3263/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 CYP3A4 696/4885TRPA1 20/4885NOS1 1803/4885
US-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof GIPR, PGC, DDC CYP3A4 75/4885TRPA1 1924/4885NOS1 689/4885

“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.