SCHEMBL1404904

SCHEMBL1404904

CC(=O)/C=C/c1ccccc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.73
MAOB P27338 1/20 0.67
ALDH1A1 P00352 7/20 0.64
RAB9A P51151 3/20 0.64
ATM Q13315 2/20 0.64
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
NPC1 O15118 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
LMNA P02545 4/20 0.60
HSP90AA1 P07900 1/20 0.60
AR P10275 1/20 0.59
BACE1 P56817 1/20 0.58
STAT3 P40763 1/20 0.57
POLB P06746 1/20 0.56

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
SCHEMBL16795562 1.00 MAPT (0.73) MAPTMAOBALDH1A1RAB9AATM
SCHEMBL1404905 1.00 MAPT (0.73) MAPTMAOBALDH1A1RAB9AATM
SCHEMBL4185541 0.86 MAPT (0.77) MAPTMAOBALDH1A1RAB9AATM
SCHEMBL4185536 0.86 MAPT (0.77) MAPTMAOBALDH1A1RAB9AATM
SCHEMBL9622469 0.85 MAPT (0.66) MAPTMAOBALDH1A1RAB9AATM
SCHEMBL8297337 0.85 MAPT (0.66) MAPTMAOBALDH1A1RAB9AATM
SCHEMBL9622468 0.85 MAPT (0.66) MAPTMAOBALDH1A1RAB9AATM
SCHEMBL9622497 0.85 MAPT (0.66) MAPTMAOBALDH1A1RAB9AATM
SCHEMBL42323 0.84 MAPT (1.00) MAPTMAOBALDH1A1RAB9AATM
SCHEMBL10673342 0.84 MAPT (1.00) MAPTMAOBALDH1A1RAB9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150584-A2 3,4-DIHYDROQUINAZOLINE DERIVATIVE AND COMPLEX PREPARATION CONTAINING SAME University-Industry Cooperation Group of Kyung Hee University (KR) 2017-04-05 EP disclosed
EP-2788359-B1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RES TRIANGLE INST (US) 2017-03-01 EP disclosed
US-9399701-B2 Polymer compositions and methods NOVOMER, INC. (US) 2016-07-26 US disclosed
US-9150582-B2 Composition and method for neuropeptide S receptor (NPSR) antagonists RESEARCH TRIANGLE INSTITUTE (US) 2015-10-06 US disclosed
US-9150582-B2 Composition and method for neuropeptide S receptor (NPSR) antagonists RESEARCH TRIANGLE INSTITUTE (US) 2015-10-06 US disclosed
US-20150057268-A1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2015-02-26 US disclosed
US-20150057268-A1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2015-02-26 US disclosed
US-8003710-B2 Production of ophthalmic devices based on photo-induced step growth polymerization NOVARTIS AG (CH) 2011-08-23 US disclosed
EP-2079747-B1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS PFIZER LTD (GB) 2011-03-09 EP disclosed
EP-2079747-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS Pfizer Limited (GB) 2009-07-22 EP disclosed
US-20080161288-A1 COMPOUNDS PFIZER INC. 2008-07-03 US disclosed
US-20080143958-A1 Production of ophthalmic devices based on photo-induced step growth polymerization ALCON INC. (CH) 2008-06-19 US disclosed
WO-2008044127-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS PFIZER LIMITED (GB) 2008-04-17 WO disclosed
US-5166204-A ISOINDOLE DERIVATIVES AND SALTS THEREOF AND ANTITUMOR AGENT COMPRISING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 1992-11-24 US 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-20150057268-A1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS NPSR1, TACR1, NPFFR1 MAPT 1937/4885MAOB 511/4885ALDH1A1 3727/4885
US-20080161288-A1 COMPOUNDS ADRB2, ADRB1, ADRA2C MAPT 1735/4885MAOB 177/4885ALDH1A1 295/4885

“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.