SCHEMBL1900296

SCHEMBL1900296

O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 9/20 0.79
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
LMNA P02545 4/20 0.65
HTT P42858 4/20 0.65
KDM4E B2RXH2 3/20 0.65
TDP1 Q9NUW8 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
HPGD P15428 2/20 0.59
HCRTR1 O43613 1/20 0.59
GLA P06280 1/20 0.59
MAPK1 P28482 1/20 0.59
CYP3A4 P08684 2/20 0.54
GFER P55789 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ADCY8 P40145 1/20 0.51
ADCY1 Q08828 1/20 0.51

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
SCHEMBL1899281 0.91 STAT3 (0.78) STAT3MEN1KMT2ALMNAHTT
SCHEMBL1901891 0.89 STAT3 (0.69) STAT3MEN1KMT2ALMNAHTT
SCHEMBL1900917 0.88 STAT3 (1.00) STAT3MEN1KMT2ALMNAHTT
SCHEMBL1898948 0.86 STAT3 (1.00) STAT3MEN1KMT2ALMNAHTT
SCHEMBL1898505 0.85 STAT3 (0.83) STAT3MEN1KMT2ALMNAHTT
SCHEMBL1899177 0.83 STAT3 (0.86) STAT3MEN1KMT2ALMNAHTT
SCHEMBL1898024 0.83 STAT3 (0.74) STAT3MEN1KMT2ALMNAHTT
SCHEMBL1900902 0.81 STAT3 (0.87) STAT3MEN1KMT2ALMNAHTT
SCHEMBL2190684 0.81 STAT3 (0.74) STAT3MEN1KMT2ALMNAHTT
SCHEMBL1906135 0.80 STAT3 (0.82) STAT3MEN1KMT2ALMNAHTT

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 10 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
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 (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 1830/4885MEN1 4528/4885KMT2A 809/4885
US-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT STAT3, STAT4, STAT5B STAT3 1/4885MEN1 4247/4885KMT2A 255/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR STAT3 1830/4885MEN1 4528/4885KMT2A 809/4885

“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.