SCHEMBL7429410

SCHEMBL7429410

N#Cc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
KDM4E B2RXH2 1/20 0.61
FFAR1 O14842 2/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HSPB1 P04792 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
RAB9A P51151 2/20 0.49
KCNJ1 P48048 1/20 0.48
KCNH2 Q12809 1/20 0.48
VCAM1 P19320 1/20 0.46
LTA4H P09960 1/20 0.45
PTGS2 P35354 1/20 0.45
PGR P06401 1/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MYOC Q99972 1/20 0.44

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
SCHEMBL7426076 0.89 LTA4H (0.49) ALDH1A1KDM4EMEN1KMT2AKCNJ1
SCHEMBL24168843 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EFFAR1MEN1KMT2A
SCHEMBL3128583 0.84 HSPB1 (0.59) ALDH1A1KDM4EMEN1KMT2AHSPB1
SCHEMBL7632953 0.84 ALDH1A1 (0.77) ALDH1A1KDM4EFFAR1MEN1KMT2A
SCHEMBL27188054 0.84 ALDH1A1 (0.77) ALDH1A1KDM4EFFAR1MEN1KMT2A
SCHEMBL10923033 0.83 PDE4A (0.55) ALDH1A1MEN1KMT2APGRMAPT
SCHEMBL7075419 0.82 VCAM1 (0.50) ALDH1A1KDM4EMEN1KMT2AVCAM1
SCHEMBL6578552 0.81 MERTK (0.53) ALDH1A1KDM4EMEN1KMT2AVCAM1
SCHEMBL2749527 0.81 MEN1 (0.58) ALDH1A1KDM4EMEN1KMT2AVCAM1
SCHEMBL9214229 0.80 ALDH1A1 (0.73) ALDH1A1KDM4EFFAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1948964-A Synthesizing porcess for artificial antigen of cyanobromide chrysanthemum ester and assaying process thereof ZHAO JIANZHUANG (CN) 2007-04-18 CN claimed
US-9624239-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-04-18 US disclosed
US-9624239-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-04-18 US disclosed
CN-103619818-A Heterocyclic compounds for treating helminth infections DU PONT 2014-03-05 CN disclosed
US-20140045833-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2014-02-13 US disclosed
US-20140045833-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2014-02-13 US disclosed
WO-2012135944-A9 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2014-01-09 WO disclosed
US-8268885-B2 Entry inhibitors of the HIV virus JANSSEN R&D IRELAND (IE) 2012-09-18 US disclosed
EP-1667675-B1 ENTRY INHIBITORS OF THE HIV VIRUS TIBOTEC PHARM LTD (IE) 2011-11-09 EP disclosed
CN-1948964-A Synthesizing porcess for artificial antigen of cyanobromide chrysanthemum ester and assaying process thereof ZHAO JIANZHUANG (CN) 2007-04-18 CN disclosed
US-20070066623-A1 Entry inhibitors of the hiv virus JANSSEN R&D IRELAND (IE) 2007-03-22 US disclosed
US-20070066623-A1 Entry inhibitors of the hiv virus JANSSEN R&D IRELAND (IE) 2007-03-22 US disclosed
CN-1315942-A 2-oxo-j(2H)-quinoline derivatives MERCK PATENT GMBH (DE) 2001-10-03 CN disclosed
EP-1107954-A1 2-OXO-$i(2H)-QUINOLINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-06-20 EP disclosed
WO-2000012479-A1 2-OXO-2H-QUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-03-09 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-20070066623-A1 Entry inhibitors of the hiv virus HAVCR2, CCR5, SAMHD1 ALDH1A1 3208/4885KDM4E 2453/4885FFAR1 4388/4885
US-20140045833-A1 Protein Kinase Inhibitors LCK, BTK, TEC ALDH1A1 4846/4885KDM4E 1287/4885FFAR1 3790/4885

“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.