SCHEMBL58809

SCHEMBL58809

Cc1ccc(N=C=O)cc1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.70
TRPA1 O75762 1/20 0.70
TDP1 Q9NUW8 6/20 0.52
MAPK1 P28482 1/20 0.52
TSHR P16473 2/20 0.45
ALDH1A1 P00352 9/20 0.37
PMM2 O15305 1/20 0.37
MPI P34949 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 5/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 3/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
USP2 O75604 2/20 0.35
HSD17B10 Q99714 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL7534870 0.90 CYP3A4 (0.59) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL667517 0.84 CYP3A4 (0.62) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL18568763 0.83 CYP3A4 (0.77) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL28174227 0.83 CYP3A4 (1.00) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL19733056 0.83 CYP3A4 (1.00) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL29350148 0.83 CYP3A4 (1.00) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL15384 0.83 CYP3A4 (1.00) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL29737260 0.83 CYP3A4 (1.00) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29373346 0.83 CYP3A4 (0.71) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL77895 0.83 CYP3A4 (0.71) CYP3A4TRPA1TDP1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12509547-B2 Synthesis of linear polyoxazolidinones using uretdiones as diisocyanate component BASF SE (DE) 2025-12-30 US claimed
EP-3529319-B1 RHEOLOGY-MODIFYING URETHANE COMPOUND COATEX SAS (FR) 2025-07-30 EP claimed
CN-119725677-A Battery cell, secondary battery and electricity utilization device 宁德时代新能源科技股份有限公司 2025-03-28 CN claimed
CN-118745728-A Method for reinforcing loess by combining rubber particles with EICP 中交一公局第七工程有限公司 2024-10-08 CN claimed
US-20230348657-A1 SYNTHESIS OF LINEAR POLYOXAZOLIDINONES USING URETDIONES AS DIISOCYANATE COMPONENT BASF SE (DE) 2023-11-02 US claimed
EP-4185626-A1 SYNTHESIS OF LINEAR POLYOXAZOLIDINONES USING URETDIONES AS DIISOCYANATE COMPONENT BASF SE (DE) 2023-05-31 EP claimed
CN-116137864-A Synthesis of linear polyoxazolidinones using uretdiones as diisocyanate component 巴斯夫欧洲公司 2023-05-19 CN claimed
CN-112358594-B Composite material for automobile interior trim skin and preparation method and application thereof 江苏金智达新材料有限公司 2022-02-01 CN claimed
EP-3728376-A1 SOFTENING COMPOSITION Coatex (FR) 2020-10-28 EP claimed
CN-111433245-A Softening composition 可泰克斯公司 2020-07-17 CN claimed
CN-109844041-A Rheology modifying urethane compounds 可泰克斯公司 2019-06-04 CN claimed
CN-107118165-A The synthetic method of the dimethoxyquinazoline of 2 chlorine, 4 amino 6,7 浙江逸都生物科技有限公司 2017-09-01 CN claimed
CN-103304446-B Derivatization method of optically active phenylacetylene compound UNIV HARBIN ENG 2015-02-25 CN claimed
CN-103304446-A Derivatization method of optically active phenylacetylene compound UNIV HARBIN ENG 2013-09-18 CN claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
CN-117886824-B 2, 3-Dihydropyrimido [4,5-d ] pyrimidine-4 (1H) -ketone derivative, preparation method and application thereof 四川大学华西医院 2026-05-15 CN disclosed
US-12552895-B2 Continuous preparation of polyurethanes or polyureas COATEX (FR) 2026-02-17 US disclosed
US-4402731-A Herbicidally active novel substituted tetrahydropyrimidinones NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-09-06 US disclosed
EP-0058868-A1 Derivatives of tetrahydropyrimidinon, process for their preparation and herbicides containing those derivatives as active products NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1982-09-01 EP disclosed
US-4098788-A Process for preparing quinazolines BRISTOL-MYERS COMPANY (US) 1978-07-04 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 (2 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-12552895-B2 Continuous preparation of polyurethanes or polyureas PCBP1, HLA-B, P4HB CYP3A4 806/4885TRPA1 1737/4885TDP1 1732/4885
US-12509547-B2 Synthesis of linear polyoxazolidinones using uretdiones as diisocyanate component BMP1, BMP4, PBRM1 CYP3A4 1801/4885TRPA1 4078/4885TDP1 2075/4885

“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.