SCHEMBL1898736

SCHEMBL1898736

O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(-c2ccccc2)nc2ccc(OC(F)(F)F)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 7/20 0.59
ADCY8 P40145 1/20 0.49
ADCY1 Q08828 1/20 0.49
MAPT P10636 5/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.49
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HCRTR1 O43613 1/20 0.49
GLA P06280 1/20 0.49
MAPK1 P28482 1/20 0.49
BCL2 P10415 1/20 0.47
EIF4A1 P60842 3/20 0.47
DHODH Q02127 1/20 0.46
RAB9A P51151 1/20 0.45

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
SCHEMBL1900802 0.92 STAT3 (0.70) STAT3ADCY8ADCY1MAPTKDM4E
SCHEMBL1899842 0.89 STAT3 (0.63) STAT3ADCY8ADCY1MAPTKDM4E
SCHEMBL1906040 0.89 STAT3 (0.73) STAT3ADCY8ADCY1MAPTKDM4E
SCHEMBL1900315 0.86 STAT3 (0.81) STAT3ADCY8ADCY1MAPTKDM4E
SCHEMBL1899336 0.85 STAT3 (0.72) STAT3MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL1901042 0.85 STAT3 (0.73) STAT3ADCY8ADCY1MAPTKDM4E
SCHEMBL1899883 0.83 STAT3 (0.73) STAT3MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL1900644 0.83 STAT3 (0.57) STAT3ADCY8ADCY1MAPTKDM4E
SCHEMBL22471946 0.82 STAT3 (0.72) STAT3ADCY8ADCY1MAPTKDM4E
SCHEMBL1899779 0.82 STAT3 (0.73) STAT3ADCY8ADCY1MAPTKDM4E

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 1/4885ADCY8 3230/4885ADCY1 3004/4885

“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.