SCHEMBL1898306

SCHEMBL1898306

O=C(O)c1cc(-c2ccccc2)nc2ccc(Cl)cc12

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.86
ALDH1A1 P00352 2/20 0.86
HIF1A Q16665 2/20 0.86
PTGES O14684 1/20 0.86
ALOX5 P09917 1/20 0.86
CYP2C9 P11712 1/20 0.86
HPGD P15428 1/20 0.86
CASP7 P55210 1/20 0.86
DHODH Q02127 7/20 0.78
KDM4E B2RXH2 3/20 0.69
LMNA P02545 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
PDE10A Q9Y233 1/20 0.69
TP53 P04637 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C19 P33261 1/20 0.65
KMT2A Q03164 1/20 0.63
MAPT P10636 1/20 0.63
PLA2G2A P14555 1/20 0.61
POLB P06746 1/20 0.58

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
SCHEMBL5529524 0.92 HSD17B10 (0.94) HSD17B10ALDH1A1HIF1APTGESALOX5
SCHEMBL14286200 0.92 HSD17B10 (1.00) HSD17B10ALDH1A1HIF1APTGESALOX5
SCHEMBL1901263 0.90 KDM4E (0.72) HSD17B10ALDH1A1HIF1APTGESALOX5
SCHEMBL13957864 0.90 HSD17B10 (0.69) HSD17B10ALDH1A1HIF1APTGESALOX5
SCHEMBL19475274 0.88 ALDH1A1 (0.71) HSD17B10ALDH1A1HIF1APTGESALOX5
SCHEMBL19475331 0.87 ALDH1A1 (0.84) HSD17B10ALDH1A1HIF1APTGESALOX5
SCHEMBL8231321 0.87 DHODH (1.00) HSD17B10ALDH1A1HIF1APTGESALOX5
SCHEMBL117422 0.87 PTGES (0.84) HSD17B10ALDH1A1HIF1APTGESALOX5
SCHEMBL24685853 0.86 ALDH1A1 (0.69) HSD17B10ALDH1A1HIF1APTGESALOX5
SCHEMBL17211739 0.86 DHODH (0.74) HSD17B10ALDH1A1HIF1APTGESALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169640-A1 PRODUCTION METHOD OF QUINOLINECARBOXAMIDE DERIVATIVE OR PRODUCTION INTERMEDIATE THEREOF KABUSHIKI KAISHA YAKULT HONSHA (JP) 2022-06-02 US disclosed
EP-3943159-A1 PRODUCTION METHOD OF QUINOLINECARBOXAMIDE DERIVATIVE OR PRODUCTION INTERMEDIATE THEREOF Kabushiki Kaisha Yakult Honsha (JP) 2022-01-26 EP disclosed
US-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 US disclosed
WO-2020196327-A1 PRODUCTION METHOD OF QUINOLINECARBOXAMIDE DERIVATIVE OR PRODUCTION INTERMEDIATE THEREOF 株式会社ヤクルト本社 2020-10-01 WO disclosed
EP-2325181-B1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT GENERAL INCORPORATED ASS PHARMA VALLEY PROJECT SUPPORTING ORGANIZATION (JP) 2017-03-29 EP disclosed
US-8466290-B2 STAT3 inhibitor containing quinolinecarboxamide derivative as active ingredient PHARMA IP GENERAL INCORPORATED ASSOCIATION (JP) 2013-06-18 US disclosed
CN-102417479-A STAT3 small molecular selective inhibitor and preparation method and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2012-04-18 CN disclosed
US-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT PHARMA IP GENERAL INCORPORATED ASSOCIATION (JP) 2011-07-14 US disclosed
CN-102099352-A STAT3 inhibitor containing quinolinecarboxamide derivative as active ingredient PHARMA IP GENERAL INC ASS 2011-06-15 CN disclosed
EP-2325181-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT Pharma Ip General Incorporated Association (JP) 2011-05-25 EP disclosed
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 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-20220169640-A1 PRODUCTION METHOD OF QUINOLINECARBOXAMIDE DERIVATIVE OR PRODUCTION INTERMEDIATE THEREOF BCKDK, CBR3, NQO2 HSD17B10 235/4885ALDH1A1 213/4885HIF1A 1215/4885
US-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF AR, KLK3, BRDT HSD17B10 612/4885ALDH1A1 3667/4885HIF1A 4199/4885
US-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT STAT3, STAT4, STAT5B HSD17B10 3117/4885ALDH1A1 3308/4885HIF1A 2027/4885

“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.