SCHEMBL138307

SCHEMBL138307

N#CCC(=O)c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.53
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 1/20 0.48
CTNNB1 P35222 3/20 0.46
WNT3A P56704 3/20 0.46
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KAT6A Q92794 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL395494 0.86 MAPT (0.56) MAPTKMT2AMEN1HPGDALDH1A1
SCHEMBL3563696 0.85 CES2 (0.55) PTPN1ERCC5FEN1CES2CES1
SCHEMBL28436031 0.82 PTPN1 (0.55) PTPN1ERCC5FEN1CES2CES1
SCHEMBL21758650 0.81 CTNNB1 (0.51) PTPN1ERCC5FEN1CES2CES1
SCHEMBL7001279 0.78 CES2 (0.50) CES2CES1MAPTKMT2AMEN1
SCHEMBL11493775 0.78 MAPT (0.50) MAPTKMT2AMEN1HPGDALDH1A1
SCHEMBL7614948 0.78 ALDH1A1 (0.56) MAPTKMT2AMEN1HPGDALDH1A1
SCHEMBL11344457 0.78 CES2 (0.55) CES2CES1MAPTKMT2AMEN1
SCHEMBL30029385 0.78 CES2 (0.55) CES2CES1MAPTKMT2AMEN1
SCHEMBL5931410 0.78 CES2 (0.55) CES2CES1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110526867-A A method of efficiently preparing blonanserin intermediate HUNAN XIANGZHONG PHARMACEUTICAL CO LTD 2019-12-03 CN claimed
CN-107056653-B Synthetic method of the blonanserin intermediate to fluorobenzoyl acetonitrile 丽珠医药集团股份有限公司 2019-07-09 CN claimed
CN-107056653-A Synthetic method of the blonanserin intermediate to fluorobenzoyl acetonitrile 丽珠医药集团股份有限公司 2017-08-18 CN claimed
US-4083993-A ARTHRITIS AMERICAN CYANAMID CO. (US) 1978-04-11 US claimed
CN-122010947-A Antagonists of adenosine A2a receptors 阿道尔克斯治疗有限公司 2026-05-12 CN disclosed
US-12617796-B2 Antagonists of the adenosine A2a receptor JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 US disclosed
WO-2025064210-A1 INHIBITORS OF BILIVERDIN REDUCTASE B (BLVRB) BLOOD CELL TECHNOLOGIES, LLC (US) 2025-03-27 WO disclosed
CN-119192171-A Small molecule compounds and their use in vitro expansion of hematopoietic stem cells and/or progenitor cells 上海交通大学医学院 2024-12-27 CN disclosed
CN-117624188-A Cyclopentathiofuran carboxamide derivatives as platelet-activating factor receptor antagonists 勃林格殷格翰国际有限公司 2024-03-01 CN disclosed
US-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INT (DE) 2023-11-09 US disclosed
US-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INT (DE) 2023-11-09 US disclosed
US-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INT (DE) 2023-11-09 US disclosed
US-4259256-A ANTIINFLAMMATORY AMERICAN CYANAMID COMPANY (US) 1981-03-31 US disclosed
EP-0016277-A1 2-Carbonyl-3-hydroxy-alkenonitriles, their use as anti-arthritic agents and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-10-01 EP disclosed
WO-1980000964-A1 ANTI-INFLAMMATORY AGENTS INCLUDING 2-CARBONYL-3-HYDROXY-2-ALKENONITRILES AMERICAN CYANAMID CO (US) 1980-05-15 WO disclosed
US-4197312-A USE TO INHIBIT ARTHRITIS AND PROGRESSIVE JOINT DETERIORATION AND AS ANTIINFLAMMATORIES AMERICAN CYANAMID COMPANY (US) 1980-04-08 US disclosed
US-4197312-A USE TO INHIBIT ARTHRITIS AND PROGRESSIVE JOINT DETERIORATION AND AS ANTIINFLAMMATORIES AMERICAN CYANAMID COMPANY (US) 1980-04-08 US disclosed
US-4181677-A ANTIINFLAMMATORY AGENTS AMERICAN CYANAMID COMPANY (US) 1980-01-01 US disclosed
US-4083993-A ARTHRITIS AMERICAN CYANAMID CO. (US) 1978-04-11 US disclosed
US-4083993-A ARTHRITIS AMERICAN CYANAMID CO. (US) 1978-04-11 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-12617796-B2 Antagonists of the adenosine A2a receptor ADORA2A, ADORA2B, ADORA3 PTPN1 1079/4885ERCC5 2183/4885FEN1 2742/4885
US-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists PTAFR, PDGFRA, F3 PTPN1 1583/4885ERCC5 4743/4885FEN1 4437/4885

“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.