SCHEMBL16628146

SCHEMBL16628146

N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 1/20 0.52
VCAM1 P19320 2/20 0.49
CYP19A1 P11511 1/20 0.48
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MYOC Q99972 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.45
SRD5A2 P31213 1/20 0.45
PLA2G7 Q13093 1/20 0.45
FFAR1 O14842 1/20 0.45
LMNA P02545 1/20 0.43
CRHBP P24387 1/20 0.43

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
SCHEMBL1980405 0.86 MEN1 (0.52) HSPB1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL12595068 0.84 AR (0.65) HSPB1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1377229 0.82 CYP19A1 (0.62) ALDH1A1CYP19A1NPSR1HPGD
SCHEMBL9472016 0.82 CYP19A1 (0.62) ALDH1A1CYP19A1NPSR1HPGD
SCHEMBL3914599 0.81 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4EVCAM1
SCHEMBL11779619 0.81 HSPB1 (0.68) HSPB1ALDH1A1MEN1KMT2AVCAM1
SCHEMBL11093863 0.81 KDM4E (0.50) HSPB1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL73860 0.81 VCAM1 (0.70) ALDH1A1MEN1KMT2AVCAM1CYP19A1
SCHEMBL13720974 0.81 KMT2A (0.51) HSPB1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4581525 0.80 CYP19A1 (0.65) ALDH1A1CYP19A1NPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11292891-B2 Resin blends containing a phthalonitrile reactive diluent and a diphthalonitrile resin, prepregs, and articles 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-04-05 US disclosed
US-20200131336-A1 RESIN BLENDS CONTAINING A PHTHALONITRILE REACTIVE DILUENT AND A DIPHTHALONITRILE RESIN, PREPREGS, AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2020-04-30 US disclosed
EP-3601215-A1 RESIN BLENDS CONTAINING A PHTHALONITRILE REACTIVE DILUENT AND A DIPHTHALONITRILE RESIN, PREPREGS, AND ARTICLES 3M Innovative Properties Company (US) 2020-02-05 EP disclosed
WO-2018175025-A1 RESIN BLENDS CONTAINING A PHTHALONITRILE REACTIVE DILUENT AND A DIPHTHALONITRILE RESIN, PREPREGS, AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-09-27 WO disclosed
WO-2015051149-A1 SORAFENIB ANALOGS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-04-09 WO 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 (2 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-20200131336-A1 RESIN BLENDS CONTAINING A PHTHALONITRILE REACTIVE DILUENT AND A DIPHTHALONITRILE RESIN, PREPREGS, AND ARTICLES PNN, RPN1, DCXR HSPB1 304/4885ALDH1A1 720/4885MEN1 1660/4885
US-11292891-B2 Resin blends containing a phthalonitrile reactive diluent and a diphthalonitrile resin, prepregs, and articles PNN, RPN1, DCXR HSPB1 304/4885ALDH1A1 720/4885MEN1 1660/4885

“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.