SCHEMBL6101719

SCHEMBL6101719

NC1(F)C=CC(Cl)=CC1C(=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 1/20 0.33
HBB P68871 1/20 0.33
CES1 P23141 2/20 0.33
MAPK1 P28482 1/20 0.32
EPHX1 P07099 2/20 0.32
CES2 O00748 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
PARP1 P09874 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9001396 0.79 HTT (0.36) EP300HTTMAPTALOX15HBB
SCHEMBL9001403 0.78 CES1 (0.39) EP300HTTMAPTALOX15HBB
SCHEMBL9149341 0.78 SMN1; SMN2 (0.35) EP300HTTMAPTALOX15HBB
SCHEMBL28825178 0.77 HTT (0.33) EP300HTTMAPTALOX15HBB
SCHEMBL9001399 0.74 CES1 (0.34) EP300HTTMAPTALOX15HBB
SCHEMBL8547645 0.74 L3MBTL1 (0.38) HTTMAPTALOX15HBBCES1
SCHEMBL28494258 0.73 EPHX1 (0.34) HTTMAPTALOX15HBBCES1
SCHEMBL8205168 0.69 ALDH1A1 (0.40) L3MBTL1KMT2A
SCHEMBL4262537 0.68 MAPT (0.33) EP300HTTMAPTALOX15HBB
SCHEMBL28386645 0.67 ALDH1A1 (0.34) EP300HTTMAPTALOX15HBB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101260077-A Quinolin-2-ones derivative, pharmaceutical composition and use thereof KUNMING INST BOTANY CN ACAD (CN) 2008-09-10 CN claimed
CN-114853582-A Method for preparing aryl ketone through green continuous photochemical rearrangement 姚昕辰 2022-08-05 CN disclosed
CN-101260077-B Quinolin-2-ones derivative, pharmaceutical composition and use thereof KUNMING INST BOTANY CN ACAD 2011-06-15 CN disclosed
CN-101260077-A Quinolin-2-ones derivative, pharmaceutical composition and use thereof KUNMING INST BOTANY CN ACAD (CN) 2008-09-10 CN disclosed
US-7087641-B2 4β-1″-[(2″-substituted benzoyl) anilino]podophyllotoxin analogues useful as anticancer agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2006-08-08 US disclosed
EP-1377588-B1 4-BETA-1''-[(2''-(SUBSTITUTED BENZOYL)ANILINO] PODOPHYLLOTOXIN ANALOGUES USEFUL AS ANTICANCER AGENTS COUNCIL SCIENT IND RES (IN) 2005-08-10 EP disclosed
US-20050101804-A1 4Beta-1\"-{2'-substituted benzoyl) anilino] podophyllotoxin analogues useful as anticancer agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-05-12 US disclosed
EP-1377588-A1 4-BETA-1''-[(2''-(SUBSTITUTED BENZOYL)ANILINO] PODOPHYLLOTOXIN ANALOGUES USEFUL AS ANTICANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-01-07 EP disclosed
WO-2003082876-A1 4-BETA-1''-`(2''-(SUBSTITUTED BENZOYL)ANILINO! PODOPHYLLOTOXIN ANALOGUES USEFUL AS ANTICANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-10-09 WO disclosed
EP-0918773-A1 PROCESS FOR THE PRODUCTION OF 8-CHLORO-6-(2-FLUOROPHENYL)-1-METHYL-4H-IMIDAZO 1,5-A]BENZODIAZEPINE PHARMACIA & UPJOHN COMPANY (US) 1999-06-02 EP disclosed
WO-1998000427-A1 PROCESS FOR THE PRODUCTION OF 8-CHLORO-6-(2-FLUOROPHENYL)-1-METHYL-4H-IMIDAZO[1,5-A]BENZODIAZEPINE PHARMACIA & UPJOHN COMPANY (US) 1998-01-08 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 (1 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-20050101804-A1 4Beta-1\"-{2'-substituted benzoyl) anilino] podophyllotoxin analogues useful as anticancer agents TUBB4A, CASP4, TUBB4B EP300 4801/4885HTT 3598/4885MAPT 3491/4885

“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.