SCHEMBL1898878

SCHEMBL1898878

CC(=O)c1ccc(-c2cc(C(=O)OCc3ccccc3)c3ccccc3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 5/20 0.62
▸ KDM4E B2RXH2 9/20 0.62
▸ ALDH1A1 P00352 9/20 0.62
▸ MAPT P10636 6/20 0.62
▸ MEN1 O00255 5/20 0.62
▸ KMT2A Q03164 5/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ HPGD P15428 5/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CASP1 P29466 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ FNTA P49354 1/20 0.53
▸ FNTB P49356 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53

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
SCHEMBL27810158 0.83 DHODH (0.53) DHODHKDM4EALDH1A1MAPTMEN1
SCHEMBL1899209 0.81 DHODH (0.76) DHODHKDM4EALDH1A1KMT2AHPGD
SCHEMBL10678483 0.78 KDM4E (0.79) DHODHKDM4EALDH1A1MAPTMEN1
SCHEMBL31531878 0.78 KDM4E (0.79) DHODHKDM4EALDH1A1MAPTMEN1
SCHEMBL1898385 0.78 DHODH (0.53) DHODHKDM4EALDH1A1MAPTMEN1
SCHEMBL1902645 0.78 TDP1 (0.55) DHODHKDM4EALDH1A1MAPTMEN1
SCHEMBL10760517 0.77 ALDH1A1 (0.80) DHODHKDM4EALDH1A1MAPTMEN1
SCHEMBL1902851 0.76 KDM4E (0.68) DHODHKDM4EALDH1A1MAPTKMT2A
SCHEMBL9331636 0.76 KMT2A (0.69) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10955791 0.75 KDM4E (0.67) DHODHKDM4EALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-102099352-B STAT3 inhibitor containing quinolinecarboxamide derivative as active ingredient PHARMA IP GENERAL INC ASS 2014-02-26 — — CN disclosed
US-8466290-B2 STAT3 inhibitor containing quinolinecarboxamide derivative as active ingredient PHARMA IP GENERAL INCORPORATED ASSOCIATION (JP) 2013-06-18 — — US 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

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-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT STAT3, STAT4, STAT5B DHODH 3326/4885KDM4E 532/4885ALDH1A1 3308/4885

“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.

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