SCHEMBL1900306

SCHEMBL1900306

O=C(O)c1cc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.77
ALDH1A1 P00352 3/20 0.77
DHODH Q02127 6/20 0.72
SMN1; SMN2 Q16637 3/20 0.71
KDM4E B2RXH2 2/20 0.71
LMNA P02545 1/20 0.71
PDE10A Q9Y233 1/20 0.71
HPGD P15428 1/20 0.70
POLB P06746 1/20 0.68
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
EIF4A1 P60842 1/20 0.60

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
SCHEMBL8613758 0.87 MAPT (1.00) MAPTALDH1A1DHODHSMN1; SMN2KDM4E
SCHEMBL1899228 0.86 EIF4A1 (0.73) MAPTALDH1A1DHODHSMN1; SMN2KDM4E
SCHEMBL1898782 0.86 MAPT (0.77) MAPTALDH1A1DHODHSMN1; SMN2KDM4E
SCHEMBL29536364 0.84 DHODH (1.00) DHODHSMN1; SMN2KDM4ELMNAPDE10A
SCHEMBL2467110 0.84 DHODH (1.00) DHODHSMN1; SMN2KDM4ELMNAPDE10A
Cinchophen SCHEMBL7588217 0.84 KDM4E (1.00) ALDH1A1DHODHSMN1; SMN2KDM4ELMNA
Cinchophen SCHEMBL25519 0.84 KDM4E (1.00) ALDH1A1DHODHSMN1; SMN2KDM4ELMNA
Cinchophen SCHEMBL29376617 0.84 KDM4E (1.00) ALDH1A1DHODHSMN1; SMN2KDM4ELMNA
SCHEMBL10608949 0.83 MAPT (0.69) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
Cinchophen SCHEMBL4464779 0.82 KDM4E (0.97) ALDH1A1DHODHSMN1; SMN2KDM4ELMNA

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 6 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
CN-102099352-B STAT3 inhibitor containing quinolinecarboxamide derivative as active ingredient PHARMA IP GENERAL INC ASS 2014-02-26 CN 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
CN-102099352-A STAT3 inhibitor containing quinolinecarboxamide derivative as active ingredient PHARMA IP GENERAL INC ASS 2011-06-15 CN 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 MAPT 4208/4885ALDH1A1 3308/4885DHODH 3326/4885

“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.