SCHEMBL3045728

SCHEMBL3045728

O=C=Nc1ccc(-c2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.41
CYP3A4 P08684 2/20 0.40
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL14256863 0.78 RAB9A (0.46) RAB9AMEN1POLBKMT2AHDAC1
SCHEMBL9524424 0.78 NPC1 (0.38) RAB9AMEN1KMT2AHDAC1NPC1
SCHEMBL9525418 0.78 PRF1 (0.39) HDAC1HSD17B2HDAC6
SCHEMBL332062 0.76 CYP3A4 (0.37) CYP3A4ALDH1A1HPGDMAPK1
SCHEMBL498650 0.71 HSD17B1 (0.65) RAB9AMEN1POLBKMT2AHDAC1
SCHEMBL27914461 0.69 RAB9A (0.46) RAB9AMEN1POLBKMT2AHDAC1
SCHEMBL7591649 0.69 HSD17B1 (0.62) RAB9AMEN1POLBKMT2AHDAC1
SCHEMBL2241368 0.69 HSD17B1 (0.62) RAB9AMEN1POLBKMT2AHDAC1
SCHEMBL2242666 0.69 HSD17B1 (0.62) RAB9AMEN1POLBKMT2AHDAC1
SCHEMBL2240182 0.69 HSD17B1 (0.62) RAB9AMEN1POLBKMT2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 US disclosed
EP-4298140-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-01-03 EP disclosed
CN-112020525-B Adducts of amine catalysts for preparing isocyanurate polymers 科思创知识产权两合公司 2023-05-16 CN disclosed
US-20220363809-A1 POLYMERIZABLE COMPOSITIONS FOR PREPARING POLYISOCYANURATE-BASED PLASTICS HAVING EXTENDED WORKLIFE COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2022-11-17 US disclosed
WO-2022179939-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2022-09-01 WO disclosed
EP-3997149-A1 POLYMERIZABLE COMPOSITIONS FOR PREPARING POLYISOCYANURATE-BASED PLASTICS HAVING EXTENDED WORKLIFE Covestro Intellectual Property GmbH & Co. KG (DE) 2022-05-18 EP disclosed
US-20070197589-A1 Cyclic quaternary amino derivatives as modulators of chemokine receptors CELLTECH R&D LIMITED (GB) 2007-08-23 US disclosed
CN-1914173-A Quinolines useful in treating cardiovascular disease WYETH CORP (US) 2007-02-14 CN disclosed
US-7071182-B2 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES (US) 2006-07-04 US disclosed
EP-1620402-A1 CYCLIC QUATERNARY AMINO DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS Celltech R & D Limited (GB) 2006-02-01 EP disclosed
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBVIE INC. 2005-12-15 US disclosed
US-20050137243-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES 2005-06-23 US disclosed
US-20050113414-A1 1-[1-((E)-1-Cyclooct-1-enyl)methylpiperidin-4-yl]-3-(3,4-dichlorophenyl)-urea; potent and selective modulators of CXCR3, a chemokine receptor; antagonists; treatment of conditions involving inappropriate T-cell trafficking; antiinflammatory, -arthritic agents, autoimmune diseases; antiallergens CELLTECH R&D LIMITED (GB) 2005-05-26 US disclosed
EP-1478359-A1 PIPERIDIN-4-YL UREA DERIVATIVES AND RELATED COMPOUNDS AS CHEMOKINE RECEPTOR INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES Celltech R & D Limited (GB) 2004-11-24 EP disclosed
WO-2004094381-A1 CYCLIC QUATERNARY AMINO DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CELLTECH R & D LIMITED (GB) 2004-11-04 WO disclosed
WO-2003070242-A1 PIPERIDIN-4-YL UREA DERIVATIVES AND RELATED COMPOUNDS AS CHEMOKINE RECEPTOR INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES CELLTECH R & D LIMITED (GB) 2003-08-28 WO 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-20050113414-A1 1-[1-((E)-1-Cyclooct-1-enyl)methylpiperidin-4-yl]-3-(3,4-dichlorophenyl)-urea; potent and selective modulators of CXCR3, a chemokine receptor; antagonists; treatment of conditions involving inappropriate T-cell trafficking; antiinflammatory, -arthritic agents, autoimmune diseases; antiallergens CXCR3, ACKR3, CCR1 RAB9A 2629/4885MEN1 3698/4885POLB 3559/4885
US-20050137243-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R RAB9A 1117/4885MEN1 204/4885POLB 4133/4885
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R RAB9A 1117/4885MEN1 204/4885POLB 4133/4885
US-20070197589-A1 Cyclic quaternary amino derivatives as modulators of chemokine receptors CXCR3, CXCR1, ACKR3 RAB9A 1105/4885MEN1 3937/4885POLB 3366/4885

“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.