SCHEMBL1900393

SCHEMBL1900393

O=C(O)c1cc(-c2ccccc2[N+](=O)[O-])nc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
MAPT P10636 2/20 0.65
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
KDM4E B2RXH2 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
PDE10A Q9Y233 1/20 0.58
DHODH Q02127 2/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
AKR1C1 Q04828 1/20 0.54
POLB P06746 2/20 0.53
F2 P00734 1/20 0.53
C1R P00736 1/20 0.53
ESR1 P03372 1/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 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
SCHEMBL8615662 0.82 MAPT (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8324531 0.81 MEN1 (0.77) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL8613758 0.79 MAPT (1.00) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29359819 0.79 KDM4E (0.83) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL18746 0.79 KDM4E (0.83) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL19520848 0.79 MEN1 (0.73) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1900306 0.78 MAPT (0.77) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL30595092 0.77 KDM4E (0.80) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL374556 0.77 KDM4E (0.80) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
Potassium SCHEMBL93448 0.77 KDM4E (0.80) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2

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 ALDH1A1 3308/4885MAPT 4208/4885MEN1 4247/4885

“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.