SCHEMBL1899841

SCHEMBL1899841

O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 8/20 0.75
KDM4E B2RXH2 5/20 0.60
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP2C9 P11712 2/20 0.51
PTGES O14684 1/20 0.51
ALOX5 P09917 1/20 0.51
HPGD P15428 1/20 0.51
CASP7 P55210 1/20 0.51
HIF1A Q16665 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
USP2 O75604 1/20 0.49

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
SCHEMBL1904300 0.96 STAT3 (0.81) STAT3KDM4ELMNASMN1; SMN2NPC1
SCHEMBL1900902 0.93 STAT3 (0.87) STAT3KDM4ELMNASMN1; SMN2NPC1
SCHEMBL1906135 0.90 STAT3 (0.82) STAT3KDM4ELMNASMN1; SMN2NPC1
SCHEMBL1905449 0.89 STAT3 (0.84) STAT3KDM4ELMNASMN1; SMN2NPC1
SCHEMBL1899177 0.88 STAT3 (0.86) STAT3KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL1897496 0.87 STAT3 (0.81) STAT3KDM4ELMNASMN1; SMN2NPC1
SCHEMBL1900395 0.86 STAT3 (0.82) STAT3KDM4ELMNASMN1; SMN2NPC1
SCHEMBL1899809 0.85 STAT3 (1.00) STAT3KDM4ELMNASMN1; SMN2NPC1
SCHEMBL29382140 0.85 STAT3 (1.00) STAT3KDM4ELMNASMN1; SMN2NPC1
SCHEMBL1901943 0.85 STAT3 (0.78) STAT3KDM4ELMNASMN1; SMN2NPC1

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 STAT3 1/4885KDM4E 532/4885LMNA 4766/4885

“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.