SCHEMBL301933

SCHEMBL301933

O=[N+]([O-])c1ccccc1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
TSHR P16473 1/20 0.69
HPGD P15428 1/20 0.62
AR P10275 1/20 0.54
HSD17B10 Q99714 1/20 0.52
HTT P42858 1/20 0.51
TDP1 Q9NUW8 3/20 0.50
NPC1 O15118 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ACHE P22303 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GPR35 Q9HC97 1/20 0.48

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
Ammonia Solution, Strong SCHEMBL10338964 0.98 ALDH1A1 (0.67) ALDH1A1TSHRHPGDARHSD17B10
SCHEMBL10651374 0.88 ALDH1A1 (0.56) ALDH1A1TSHRHPGDARHSD17B10
SCHEMBL30956253 0.88 HSD17B10 (0.62) ALDH1A1TSHRHPGDARHSD17B10
SCHEMBL13777208 0.88 HSD17B10 (0.62) ALDH1A1TSHRHPGDARHSD17B10
SCHEMBL1246296 0.88 HSPA5 (0.59) ALDH1A1TSHRHPGDARHTT
SCHEMBL4692660 0.88 ALDH1A1 (0.56) ALDH1A1TSHRHPGDARHSD17B10
SCHEMBL4690719 0.88 ALDH1A1 (0.56) ALDH1A1TSHRHPGDARHSD17B10
SCHEMBL10569740 0.88 ALDH1A1 (0.79) ALDH1A1TSHRHPGDARHSD17B10
SCHEMBL3202573 0.88 ALDH1A1 (0.72) ALDH1A1TSHRHPGDHSD17B10HTT
SCHEMBL40607 0.87 ALDH1A1 (0.60) ALDH1A1TSHRHPGDARHSD17B10

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 959 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3606906-B1 HETEROGENEOUS CATALYSTS FOR THE DIRECT CARBONYLATION OF NITRO AROMATIC COMPOUNDS TO ISOCYANATES BASF SE (DE) 2023-12-27 EP claimed
US-11512046-B2 Heterogeneous catalysts for the direct carbonylation of nitro aromatic compounds to isocyanates BASF SE 2022-11-29 US claimed
CN-110719905-B Heterogeneous catalyst for the direct carbonylation of nitroaromatics to isocyanates 巴斯夫欧洲公司 2022-10-28 CN claimed
US-20210002210-A1 HETEROGENEOUS CATALYSTS FOR THE DIRECT CARBONYLATION OF NITRO AROMATIC COMPOUNDS TO ISOCYANATES BASF SE (DE) 2021-01-07 US claimed
US-20200246471-A1 POLYMER DERIVATIVES HAVING PARTICULAR ATOM ARRANGEMENTS NEKTAR THERAPEUTICS (US) 2020-08-06 US claimed
EP-3606906-A1 HETEROGENEOUS CATALYSTS FOR THE DIRECT CARBONYLATION OF NITRO AROMATIC COMPOUNDS TO ISOCYANATES BASF SE (DE) 2020-02-12 EP claimed
CN-110719905-A Heterogeneous catalyst for the direct carbonylation of nitroaromatics to isocyanates 巴斯夫欧洲公司 2020-01-21 CN claimed
WO-2018185168-A1 HETEROGENEOUS CATALYSTS FOR THE DIRECT CARBONYLATION OF NITRO AROMATIC COMPOUNDS TO ISOCYANATES BASF SE (DE) 2018-10-11 WO claimed
US-9714560-B2 Protected scale inhibitors and methods relating thereto HALLIBURTON ENERGY SERVICES, INC. (US) 2017-07-25 US claimed
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 US claimed
WO-2005000360-A2 PEG DERIVATIVES HAVING AN AMIDOCARBONATE LINKAGE NEKTAR THERAPEUTICS AL, CORPORATION (US) 2005-01-06 WO claimed
WO-2004020400-A1 ENZYME ACTIVATED SELF-IMMOLATIVE N-SUBSTITUTED NITROGEN MUSTARD PRODRUGS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-03-11 WO claimed
EP-0700378-B1 COMPOUNDS WHICH RELEASE NITRIC OXIDE UNIV CALIFORNIA (US) 2000-12-20 EP claimed
US-5616600-A Griseolic acid compounds and their use as a phosphodiesterase inhibitor SANKYO COMPANY, LIMITED (JP) 1997-04-01 US claimed
EP-0700378-A1 COMPOUNDS WHICH RELEASE NITRIC OXIDE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-03-13 EP claimed
EP-0700378-A4 COMPOUNDS WHICH RELEASE NITRIC OXIDE UNIV CALIFORNIA (US) 1996-01-22 EP claimed
US-5405950-A N4 -substituted cytidines and process for incorporation into an oligonucleotides AMOCO CORPORATION (US) 1995-04-11 US claimed
US-5374710-A Compounds which release nitric oxide upon illumination REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-12-20 US claimed
WO-1994027957-A1 COMPOUNDS WHICH RELEASE NITRIC OXIDE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-12-08 WO claimed
US-4631150-A Process for the preparation of penems FARMITALIA CARLO ERBA S.P.A. (IT) 1986-12-23 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20210002210-A1 HETEROGENEOUS CATALYSTS FOR THE DIRECT CARBONYLATION OF NITRO AROMATIC COMPOUNDS TO ISOCYANATES IDH3B, SOD1, IDH3A ALDH1A1 449/4885TSHR 4461/4885HPGD 1151/4885
US-11512046-B2 Heterogeneous catalysts for the direct carbonylation of nitro aromatic compounds to isocyanates IDH3B, SOD1, IDH3A ALDH1A1 449/4885TSHR 4461/4885HPGD 1151/4885
US-20200246471-A1 POLYMER DERIVATIVES HAVING PARTICULAR ATOM ARRANGEMENTS CD44, PIGO, PGLS ALDH1A1 1192/4885TSHR 4119/4885HPGD 957/4885

“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.