SCHEMBL1897553

SCHEMBL1897553

CC(=O)Oc1ccc2nc(-c3ccccc3)cc(C(=O)O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
ALDH1A1 P00352 4/20 0.65
HSD17B10 Q99714 3/20 0.65
PLA2G2A P14555 2/20 0.62
TP53 P04637 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 1/20 0.61
HIF1A Q16665 1/20 0.61
LMNA P02545 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
PDE10A Q9Y233 2/20 0.61
DHODH Q02127 4/20 0.60
MAPT P10636 5/20 0.59
NPC1 O15118 2/20 0.57
HPGD P15428 2/20 0.57
RAB9A P51151 2/20 0.57
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL1901110 0.87 KDM4E (0.71) KDM4EALDH1A1TP53LMNASMN1; SMN2
SCHEMBL245078 0.86 PLA2G2A (0.81) KDM4EALDH1A1HSD17B10PLA2G2ATP53
SCHEMBL22471890 0.81 PLA2G2A (0.61) KDM4EALDH1A1HSD17B10PLA2G2ATP53
SCHEMBL1896811 0.81 DHODH (0.72) KDM4EALDH1A1HSD17B10PLA2G2ATP53
SCHEMBL22471905 0.80 HSD17B10 (0.70) KDM4EALDH1A1HSD17B10TP53CYP1A2
SCHEMBL22471894 0.80 KDM4E (0.59) KDM4EALDH1A1HSD17B10PLA2G2ATP53
SCHEMBL6666326 0.80 TACR3 (0.74) KDM4EALDH1A1HSD17B10CYP1A2NFKB1
Benzaldehyde SCHEMBL22471923 0.79 PLA2G2A (0.69) KDM4EALDH1A1HSD17B10PLA2G2ATP53
SCHEMBL1898810 0.79 KDM4E (1.00) KDM4EALDH1A1HSD17B10TP53CYP1A2
SCHEMBL4600353 0.79 KDM4E (0.71) KDM4EALDH1A1HSD17B10PLA2G2ATP53

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 4 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
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
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 KDM4E 532/4885ALDH1A1 3308/4885HSD17B10 3117/4885

“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.