SCHEMBL2190684

SCHEMBL2190684

COc1ccccc1-c1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 8/20 0.74
KDM4E B2RXH2 3/20 0.65
LMNA P02545 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MEN1 O00255 2/20 0.65
HTT P42858 2/20 0.65
KMT2A Q03164 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
DHODH Q02127 1/20 0.61
ALDH1A1 P00352 3/20 0.61
HPGD P15428 2/20 0.59
MAPT P10636 2/20 0.59
ADCY8 P40145 1/20 0.59
ADCY1 Q08828 1/20 0.59
HCRTR1 O43613 1/20 0.59
GLA P06280 1/20 0.59
MAPK1 P28482 1/20 0.59
CYP3A4 P08684 2/20 0.57
NPC1 O15118 1/20 0.53
RAB9A P51151 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
SCHEMBL17717093 0.87 ADCY8 (0.76) STAT3KDM4ELMNASMN1; SMN2MEN1
SCHEMBL1898948 0.86 STAT3 (1.00) STAT3KDM4ELMNASMN1; SMN2MEN1
SCHEMBL1898939 0.85 STAT3 (0.82) STAT3KDM4ELMNASMN1; SMN2MEN1
SCHEMBL1899281 0.85 STAT3 (0.78) STAT3KDM4ELMNASMN1; SMN2MEN1
SCHEMBL1897621 0.85 STAT3 (0.77) STAT3KDM4ELMNASMN1; SMN2MEN1
SCHEMBL15015470 0.82 STAT3 (0.88) STAT3KDM4ELMNASMN1; SMN2MEN1
SCHEMBL1900296 0.81 STAT3 (0.79) STAT3KDM4ELMNASMN1; SMN2MEN1
SCHEMBL1898982 0.80 STAT3 (0.77) STAT3KDM4ELMNASMN1; SMN2MEN1
SCHEMBL1901610 0.80 STAT3 (0.77) STAT3KDM4ELMNASMN1; SMN2MEN1
SCHEMBL1903465 0.80 STAT3 (0.80) STAT3KDM4ELMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 US disclosed
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 US disclosed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 US disclosed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 US 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-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 US disclosed
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 US 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

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-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR STAT3 1830/4885KDM4E 916/4885LMNA 1893/4885
US-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT STAT3, STAT4, STAT5B STAT3 1/4885KDM4E 532/4885LMNA 4766/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR STAT3 1830/4885KDM4E 916/4885LMNA 1893/4885

“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.