SCHEMBL546406

SCHEMBL546406

O=C=Nc1cc(F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.39
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
TRPA1 O75762 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
TDP1 Q9NUW8 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MMP14 P50281 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
SCHEMBL29574772 1.00 CYP3A4 (0.39) CYP3A4CES2CES1TRPA1CA3
SCHEMBL8725828 0.83
SCHEMBL29533142 0.83 ALDH1A1 (0.40) CYP3A4CES2CES1TRPA1CA3
SCHEMBL76596 0.83 ALDH1A1 (0.40) CYP3A4CES2CES1TRPA1CA3
SCHEMBL7158060 0.81 CYP3A4 (0.60) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL1569005 0.81 TDP1 (0.39) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL1022418 0.79 CYP3A4 (0.63) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL31152349 0.79 CYP3A4 (0.45) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL58424 0.79 CYP3A4 (0.45) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL7922001 0.79 TDP1 (0.47) CYP3A4TRPA1TDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240154124-A1 NEGATIVE ELECTRODE PLATE AND LITHIUM-ION BATTERY COMPRISING SAME ZHUHAI COSMX BATTERY CO., LTD. (CN) 2024-05-09 US claimed
CN-111471171-B Arylsulfonic acid intermediate, preparation method thereof and application of aryl sulfonic acid intermediate in synthesizing low-temperature-sensitivity additive for concrete 江苏苏博特新材料股份有限公司 2023-07-18 CN claimed
CN-111269247-B Preparation method of buprofezin drug molecule with escherichia coli inhibition effect 河南科技大学第一附属医院 2020-11-24 CN claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
US-20260042765-A1 PYRROLOTRIAZINE COMPOUNDS AS TAM INHIBITORS INCYTE CORP (US) 2026-02-12 US disclosed
US-12415809-B2 Pyrrolotriazine compounds as tam inhibitors INCYTE CORPORATION (US) 2025-09-16 US disclosed
EP-3500257-B1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2025-07-02 EP disclosed
US-20250074901-A1 NOVEL HETEROARYL COMPOUNDS ANGELINI PHARMA S.P.A. (IT) 2025-03-06 US 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
EP-0816309-A1 Scavenger assisted combinatorial process for preparing libraries of urea and thiourea compounds ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
WO-1997026300-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1997-07-24 WO disclosed
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4958028-A HERBICIDES ICI AMERICAS INC. (US) 1990-09-18 US disclosed
US-4911748-A Applying to vegetation or locus ICI AMERICAS INC. (US) 1990-03-27 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 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 (3 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 18/4885CES2 2364/4885CES1 2017/4885
US-20260042765-A1 PYRROLOTRIAZINE COMPOUNDS AS TAM INHIBITORS MAP2K2, TTK, MAP2K5 CYP3A4 2777/4885CES2 3614/4885CES1 2043/4885
US-12415809-B2 Pyrrolotriazine compounds as tam inhibitors MERTK, MAP3K15, MAP3K5 CYP3A4 2608/4885CES2 4294/4885CES1 2671/4885

“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.