SCHEMBL418944

SCHEMBL418944

Cc1cc(N=C=O)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.58
TRPA1 O75762 1/20 0.58
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 3/20 0.41
CYP1A2 P05177 1/20 0.34
GRM5 P41594 2/20 0.34
PTGS2 P35354 2/20 0.33
ACHE P22303 1/20 0.33
PTGS1 P23219 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
DAPK3 O43293 1/20 0.32
NTRK1 P04629 1/20 0.32
PIM1 P11309 1/20 0.32
FLT3 P36888 1/20 0.32
GSK3B P49841 1/20 0.32
ROCK1 Q13464 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
SLC9A1 P19634 1/20 0.31
GABRA1 P14867 1/20 0.31

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
SCHEMBL29648923 1.00 CYP3A4 (0.58) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL420468 0.84 CYP3A4 (0.63) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL17028742 0.83 CYP3A4 (0.43) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL29824353 0.81 MAPK1 (0.52) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL58809 0.81 CYP3A4 (0.70) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL161540 0.81 MAPK1 (0.52) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL29454784 0.80 MAPK1 (0.68) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL334925 0.80 MAPK1 (0.68) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL15574155 0.80 P2RY6 (0.41) CYP3A4TRPA1TDP1GRM5ACHE
SCHEMBL667517 0.79 CYP3A4 (0.62) CYP3A4TRPA1MAPK1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN claimed
CN-112519349-A Heat preservation bag 泉州市信源体育用品有限公司 2021-03-19 CN claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
US-20250074901-A1 NOVEL HETEROARYL COMPOUNDS ANGELINI PHARMA S.P.A. (IT) 2025-03-06 US disclosed
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
CN-113923988-B Substituted arylmethyl ureas and heteroarylmethyl ureas, analogs thereof, and methods of using the same 爱彼特生物制药公司 2024-12-13 CN 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
EP-4433453-A1 NOVEL HETEROARYL-UREA COMPOUNDS AS KV7.2 INHIBITORS Icagen, LLC (US) 2024-09-25 EP disclosed
CN-118525003-A Novel heteroaryl urea compounds as KV7.2 inhibitors 伊卡根有限责任公司 2024-08-20 CN disclosed
WO-2006036527-A1 SUBSTITUTED DIPIPERDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO disclosed
US-20060069123-A1 Substituted dipiperidine CCR2 antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 US disclosed
EP-1638941-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-03-29 EP disclosed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US disclosed
WO-2005010009-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-02-03 WO disclosed
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. 2005-01-27 US disclosed
WO-2004113304-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-29 WO disclosed
US-4459238-A N-Arylthiolcarbamates, herbicides containing them, and processes for combating the growth of unwanted plants with these compounds BASF AKTIENGESELLSCHAFT (DE) 1984-07-10 US disclosed
EP-0019759-A1 N-arylthiolcarbamates, herbicides containing them and process for combating undesirable plant growth therewith BASF Aktiengesellschaft (DE) 1980-12-10 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-20250074901-A1 NOVEL HETEROARYL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A43, F12 CYP3A4 18/4885TRPA1 2511/4885MAPK1 2595/4885
US-20060069123-A1 Substituted dipiperidine CCR2 antagonists CCR2, CCR1, CCR5 CYP3A4 1207/4885TRPA1 294/4885MAPK1 477/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK CYP3A4 793/4885TRPA1 2124/4885MAPK1 199/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK CYP3A4 1935/4885TRPA1 1573/4885MAPK1 169/4885

“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.