SCHEMBL2113933

SCHEMBL2113933

O=C=NC(Cc1ccccc1)N=C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
CYP1A2 P05177 1/20 0.43
TAAR1 Q96RJ0 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
MAOA P21397 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MDM2 Q00987 1/20 0.39
LAP3 P28838 3/20 0.38

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
SCHEMBL15479086 0.81 CYP1A2 (0.42) EPHX1CYP1A2TAAR1ALPIPKM
SCHEMBL27515553 0.79 SLC6A2 (0.48) CYP1A2TAAR1MEN1KMT2APKM
SCHEMBL21056125 0.79 SLC6A2 (0.48) CYP1A2TAAR1MEN1KMT2APKM
SCHEMBL8837437 0.79 CYP1A2 (0.41) EPHX1CYP1A2TAAR1ALPIPKM
SCHEMBL28997356 0.79 CYP1A2 (0.41) EPHX1CYP1A2TAAR1ALPIPKM
SCHEMBL1934349 0.79 CNR2 (0.43) CYP1A2MEN1KMT2ACYP2A6ANPEP
SCHEMBL9751268 0.79 PLAU (0.38) TAAR1SIGMAR1CYP2A6
SCHEMBL3840796 0.79 CYP1A2 (0.41) EPHX1CYP1A2TAAR1ALPIPKM
SCHEMBL7614971 0.79 CYP1A2 (0.41) EPHX1CYP1A2TAAR1ALPIPKM
SCHEMBL2729032 0.79 SLC6A2 (0.48) CYP1A2TAAR1MEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9074036-B1 Preparing method for aqueous emulsion via dispersible urethane acrylate copolymerization CHAMPWARD CHEMICAL INDUSTRIAL CO., LTD. (TW) 2015-07-07 US claimed
EP-1003801-A1 NOVEL POLYURETHANE FOAM COMPOSITION HAVING IMPROVED FLEX FATIGUE HUNTSMAN ICI CHEMICALS LLC (US) 2000-05-31 EP claimed
WO-1999007761-A1 NOVEL POLYURETHANE FOAM COMPOSITION HAVING IMPROVED FLEX FATIGUE HUNTSMAN ICI CHEMICALS LLC (US) 1999-02-18 WO claimed
US-4424306-A DIISOCYANATE, PRIMARY DIAMINE NIPPON ZEON CO., LTD. (JP) 1984-01-03 US claimed
EP-3660120-B1 POLYURETHANE RESIN-FORMABLE COMPOSITION FOR MEMBRANE SEAL MATERIAL, AND MEMBRANE SEAL MATERIAL AND MEMBRANE MODULE USING SAID COMPOSITION TOSOH CORP (JP) 2025-07-23 EP disclosed
CN-113402657-B Photopolymerization initiator containing aryl iodonium salt for dental photocurable composition 株式会社松风 2024-06-11 CN disclosed
EP-3881818-B1 DENTAL PHOTOCURABLE COMPOSITIONS COMPRISING PHOTOPOLYMERIZATION INITIATOR COMPRISING AN ARYLIODONIUM SALT SHOFU KK (JP) 2024-03-06 EP disclosed
EP-3363424-B1 DENTAL CURABLE COMPOSITION HAVING HIGH MECHANICAL STRENGTH SHOFU KK (JP) 2023-10-25 EP disclosed
US-11779524-B2 Photopolymerization initiator comprising an aryliodonium salt for dental photocurable compositions KABUSHIKI KAISHA SHOFU (JP) 2023-10-10 US disclosed
US-20230255857-A1 DENTAL COMPOSITION CONTAINING ION SUSTAINED-RELEASE GLASS SHOFU INC. (JP) 2023-08-17 US disclosed
US-11648184-B2 Dental composition containing ion sustained-release glass SHOFU INC. (JP) 2023-05-16 US disclosed
US-11559471-B2 Dental composition containing ion sustained-release glass SHOFU INC. (JP) 2023-01-24 US disclosed
EP-0385226-A2 Blends of polydiorganosiloxane-polycarbonate block copolymers and thermoplastic polyurethanes and optionally graft polymers BAYER AG (DE) 1990-09-05 EP disclosed
EP-0337206-A2 Mixtures of thermoplastic poly(ester)carbonates with thermoplastic polyurethanes BAYER AG (DE) 1989-10-18 EP disclosed
EP-0103174-B1 PROCESS FOR THE MANUFACTURE OF DISPERSIONS OF CROSS-LINKED POLYURETHANE IONOMERS BASF Aktiengesellschaft (DE) 1987-02-25 EP disclosed
US-4594642-A Impregnating oil for a capacitor comprising two metallized plastic films and the capacitor impregnated with the oil KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-06-10 US disclosed
US-4507431-A Preparation of crosslinked polyurethane ionomer dispersions BASF AKTIENGESELLSCHAFT (DE) 1985-03-26 US disclosed
EP-0103174-A2 Process for the manufacture of dispersions of cross-linked polyurethane ionomers BASF Aktiengesellschaft (DE) 1984-03-21 EP disclosed
US-4424306-A DIISOCYANATE, PRIMARY DIAMINE NIPPON ZEON CO., LTD. (JP) 1984-01-03 US disclosed
US-4017474-A Polyurethane intermediates and products and methods of producing same from lignin RESEARCH CORPORATION (US) 1977-04-12 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 (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-20230255857-A1 DENTAL COMPOSITION CONTAINING ION SUSTAINED-RELEASE GLASS SLCO2B1, CA2, SLCO2A1 EPHX1 1881/4885CYP1A2 3012/4885TAAR1 1464/4885
US-11559471-B2 Dental composition containing ion sustained-release glass SLCO2B1, CA2, SLCO2A1 EPHX1 1881/4885CYP1A2 3012/4885TAAR1 1464/4885
US-11648184-B2 Dental composition containing ion sustained-release glass SLCO2B1, CA2, SLCO2A1 EPHX1 1881/4885CYP1A2 3012/4885TAAR1 1464/4885
US-11779524-B2 Photopolymerization initiator comprising an aryliodonium salt for dental photocurable compositions PHF6, BRD1, BRD7 EPHX1 4196/4885CYP1A2 2682/4885TAAR1 1820/4885

“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.