SCHEMBL872970

SCHEMBL872970

Cc1c(O)ccc(N)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
ALOX15 P16050 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
TSHR P16473 2/20 0.38
HDAC3 O15379 1/20 0.38
IDO1 P14902 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL8960736 0.79 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10MAPK1HPGD
SCHEMBL30785388 0.79 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10MAPK1HPGD
SCHEMBL3792759 0.79 MAPK1 (0.50) ALDH1A1ALOX15HSD17B10MAPK1HPGD
SCHEMBL1456970 0.77 CYP3A4 (0.55) ALDH1A1ALOX15HSD17B10MAPK1HPGD
SCHEMBL525507 0.77 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10MAPK1HPGD
SCHEMBL1931084 0.76 CYP3A4 (0.37) ALDH1A1ALOX15MAPK1HPGDALOX12
SCHEMBL315655 0.75 ALDH1A1 (0.46) ALDH1A1ALOX15HSD17B10MAPK1HPGD
SCHEMBL94373 0.75 ALOX15 (0.46) ALDH1A1ALOX15HSD17B10MAPK1HPGD
SCHEMBL4603633 0.75 ALOX15 (0.46) ALDH1A1ALOX15HSD17B10MAPK1HPGD
SCHEMBL6403160 0.75 CYP3A4 (0.46) ALDH1A1ALOX15SMN1; SMN2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800741-B2 Quinoline compound, preparation method and medical use therefor ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2020-10-13 US disclosed
EP-3041904-B1 STYRYL SULFIDE DYES BASF SE (DE) 2020-05-20 EP disclosed
CN-110049969-A Quinolines, preparation method and its medical usage 恩瑞生物医药科技(上海)有限公司 2019-07-23 CN disclosed
EP-2606095-B1 DISULFIDE OR THIOL POLYMERIC HAIR DYES BASF SE (DE) 2016-10-12 EP disclosed
EP-1890669-B1 CATIONIC OLIGOMERIC AZO DYES BASF SE (DE) 2016-08-10 EP disclosed
US-20160208103-A1 STYRYL SULFIDE DYES BASF SE (DE) 2016-07-21 US disclosed
EP-3041904-A1 STYRYL SULFIDE DYES BASF SE (DE) 2016-07-13 EP disclosed
EP-2052034-B1 THIOL DERIVATIVE DYES BASF SE (DE) 2016-06-08 EP disclosed
WO-2015059368-A1 METHOD FOR DYEING KERATIN FIBRES USING CATIONIC STYRYL DISULPHIDE DYES, AND COMPOSITION INCLUDING SAID DYES L'OREAL (FR) 2015-04-30 WO disclosed
WO-2015028543-A1 STYRYL SULFIDE DYES BASF SE (DE) 2015-03-05 WO disclosed
US-20040158937-A1 Cationic substituted hydrazone dyes CIBA SPECIALTY CHEMICALS CORP. 2004-08-19 US disclosed
EP-1438006-A1 METHOD OF COLOURING KERATIN-CONTAINING FIBRES USING DIAZONIUM SALTS Ciba SC Holding AG (CH) 2004-07-21 EP disclosed
EP-1430102-A1 CATIONIC REACTIVE DYES Ciba SC Holding AG (CH) 2004-06-23 EP disclosed
WO-2004019896-A1 METHOD OF COLOURING POROUS MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-03-11 WO disclosed
WO-2004019897-A1 METHOD OF COLOURING POROUS MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-03-11 WO disclosed
WO-2003076518-A2 PROCESS FOR EXCHANGING THE ANIONS OF CATIONIC COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-18 WO disclosed
WO-2003070207-A1 METHOD OF COLOURING KERATIN-CONTAINING FIBRES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-08-28 WO disclosed
WO-2003060015-A1 YELLOW CATIONIC DYES FOR DYING OF ORGANIC MATERIAL CIBA SPECIALITY CHEMICALS HOLDING INC. (CH) 2003-07-24 WO disclosed
WO-2003032939-A1 METHOD OF COLOURING KERATIN-CONTAINING FIBRES USING DIAZONIUM SALTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-04-24 WO disclosed
WO-2003029359-A1 CATIONIC REACTIVE DYES CIBA SPECIALTY CHEMICALS HOLDINGS INC. (CH) 2003-04-10 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 (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-20160208103-A1 STYRYL SULFIDE DYES C1R, C1S, C5 ALDH1A1 917/4885ALOX15 692/4885HSD17B10 1905/4885
US-20040158937-A1 Cationic substituted hydrazone dyes KRT18, CYC1, COL1A1 ALDH1A1 1049/4885ALOX15 3441/4885HSD17B10 1162/4885
US-10800741-B2 Quinoline compound, preparation method and medical use therefor WEE2, WEE1, HASPIN ALDH1A1 1958/4885ALOX15 1705/4885HSD17B10 2930/4885

“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.