SCHEMBL443529

SCHEMBL443529

CC(N=C=O)c1ccc(C(C)N=C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.46
PDE2A O00408 2/20 0.31
TYR P14679 1/20 0.31
NOS2 P35228 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL22279374 0.93 MIF (0.42) MIFTYR
SCHEMBL21304587 0.93 MIF (0.42) MIFTYR
SCHEMBL13953683 0.91 MIF (0.41) MIF
SCHEMBL1755331 0.91 MIF (0.41) MIF
SCHEMBL955933 0.91 CHRNA7 (0.41) MIF
SCHEMBL955932 0.91 CHRNA7 (0.41) MIF
SCHEMBL13799939 0.91 CHRNA7 (0.41) MIF
SCHEMBL957376 0.89 ADRB2 (0.45) MIF
SCHEMBL957377 0.89 ADRB2 (0.45) MIF
SCHEMBL958908 0.89 MIF (0.39) MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4420600-A CURING WITH DIOL, AMINODIOL, AND CATALYST AMERICAN CYANAMID COMPANY (US) 1983-12-13 US claimed
US-12503427-B2 Diamine composition, and method of preparing diisocyanate composition SK pucore co., ltd (KR) 2025-12-23 US disclosed
US-20250101202-A1 ISOCYANATE COMPOSITION AND OPTICAL COMPOSITION Hanwha Solutions Corporation (KR) 2025-03-27 US disclosed
US-12146023-B2 Method for manufacturing diisocyanate and optical lens WOORI FINE CHEM CO., LTD. (KR) 2024-11-19 US disclosed
EP-4442725-A1 ISOCYANATE COMPOSITION AND OPTICAL COMPOSITION Hanwha Solutions Corporation (KR) 2024-10-09 EP disclosed
US-20240294677-A1 METHOD FOR FASTENING ANCHORING ELEMENTS IN BOREHOLES HILTI AKTIENGESELLSCHAFT (LI) 2024-09-05 US disclosed
US-12049437-B2 Diisocyanate composition, preparation method thereof and optical material using same SK PUCORE CO., LTD. (KR) 2024-07-30 US disclosed
EP-3831806-B1 DIISOCYANATE COMPOSITION FOR OPTICAL LENS AND PREPARATION METHOD THEREOF SK PUCORE CO LTD (KR) 2024-07-10 EP disclosed
US-20240218103-A1 CURABLE COMPOSITION AND FILM PREPARED THEREFROM DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2024-07-04 US disclosed
US-11987541-B2 Method of preparing diisocyanate composition SK PUCORE CO., LTD. (KR) 2024-05-21 US disclosed
US-5591813-A REACTION OF DIISOCYANATE CAPPED POLYAMIDE WITH DIGLYCIDYL ETHER, FORMATION OF OXAZOLIDONE RING, ADHESIVES, COATINGS, POLYEPOXIXDES HITACHI CHEMICAL COMPANY, LTD. (JP) 1997-01-07 US disclosed
EP-0625506-A2 Amide group-containing diisocyanates and amide group-containing epoxy resins HITACHI CHEMICAL CO., LTD. (JP) 1994-11-23 EP disclosed
EP-0178525-B1 PROCESS FOR THE PREPARATION OF HIGH MOLECULAR WEIGHT AMINO COMPOUNDS WITH LOWERED AMINE MONOMER CONTENT AS WELL AS THEIR USE BAYER AG (DE) 1990-10-03 EP disclosed
EP-0150312-B1 REACTIVE POLYURETHANE COMPOSITION FOR INTEGRAL SKIN FOAMS AMERICAN CYANAMID COMPANY (US) 1990-01-31 EP disclosed
US-4855504-A Process for producing higher molecular weight amino compounds having reduced monomeric amine content BAYER AKTIENGESELLSCHAFT (DE) 1989-08-08 US disclosed
EP-0111681-B1 USE OF CERTAIN CATALYST COMPOSITIONS FOR THE PREPARATION OF POLYURETHANES AMERICAN CYANAMID COMPANY (US) 1988-09-28 EP disclosed
US-4607062-A SYNE-GISTIC MIXTURE OF LEAD NAPHTHENATE AND A DIALKYLTIN DICARBOXYLATE;FOR REACTION INJECTION MOLDING AMERICAN CYANAMID COMPANY (US) 1986-08-19 US disclosed
US-4547478-A 1,8-DIAZABICYCLO(5.4.0) UNDECENE-7, ORGANOTIN, AND ORGANOLEAD COMPOUND AMERICAN CYANAMID COMPANY (US) 1985-10-15 US disclosed
EP-0111681-A2 Use of certain catalyst compositions for the preparation of polyurethanes AMERICAN CYANAMID COMPANY (US) 1984-06-27 EP disclosed
US-4420600-A CURING WITH DIOL, AMINODIOL, AND CATALYST AMERICAN CYANAMID COMPANY (US) 1983-12-13 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-11987541-B2 Method of preparing diisocyanate composition INCENP, CENPE, SMO MIF 4552/4885PDE2A 329/4885TYR 163/4885
US-12049437-B2 Diisocyanate composition, preparation method thereof and optical material using same INCENP, IK, ALKBH5 MIF 1481/4885PDE2A 1397/4885TYR 26/4885
US-12146023-B2 Method for manufacturing diisocyanate and optical lens SMO, CRYAA, INCENP MIF 4475/4885PDE2A 263/4885TYR 494/4885
US-12503427-B2 Diamine composition, and method of preparing diisocyanate composition INCENP, ALKBH5, TET1 MIF 3016/4885PDE2A 531/4885TYR 111/4885

“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.