SCHEMBL1531324

SCHEMBL1531324

CNC(=O)c1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.60
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
NPC1 O15118 1/20 0.57
KCNMA1 Q12791 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
HTT P42858 3/20 0.54
PKM P14618 2/20 0.54
RORC P51449 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 3/20 0.51
ALDH1A1 P00352 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL728206 0.88 MEN1 (0.57) POLBMEN1KMT2ANPC1KCNMA1
SCHEMBL16305336 0.88 HTT (0.57) KMT2ANPC1KCNMA1TDP1HTT
SCHEMBL28933885 0.87 MEN1 (0.59) POLBMEN1KMT2ANPC1KCNMA1
SCHEMBL620645 0.86 KMT2A (0.51) POLBMEN1KMT2ANPC1KCNMA1
SCHEMBL570064 0.84 TDP1 (0.57) POLBMEN1KMT2ANPC1KCNMA1
SCHEMBL7598685 0.83 SMN1; SMN2 (0.53) POLBMEN1KMT2ANPC1KCNMA1
SCHEMBL1671926 0.83 CTSV (0.60) POLBMEN1KMT2ATDP1HTT
Zinc Ion SCHEMBL9192290 0.83 TDP1 (0.58) POLBMEN1KMT2ANPC1KCNMA1
SCHEMBL3884099 0.83 TDP1 (0.58) POLBMEN1KMT2ANPC1KCNMA1
SCHEMBL15486505 0.83 TDP1 (0.58) POLBMEN1KMT2ANPC1KCNMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 US disclosed
US-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 US disclosed
EP-3256452-A1 INHIBITORS OF NECROPTOSIS Catalyst Therapeutics Pty Ltd. (AU) 2017-12-20 EP disclosed
WO-2016127213-A1 INHIBITORS OF NECROPTOSIS CATALYST THERAPEUTICS PTY LTD (AU) 2016-08-18 WO disclosed
WO-2016127213-A1 INHIBITORS OF NECROPTOSIS CATALYST THERAPEUTICS PTY LTD (AU) 2016-08-18 WO disclosed
US-8618115-B2 Substituted thieno[3,2-d]pyrimidinones as MCHR1 antagonists and methods for using them BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-31 US disclosed
EP-1948665-B1 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
EP-1948665-B1 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
EP-2298776-A1 Thienopyrimidinone derivatives as melanin concentrating hormone receptor-1 antagonists Bristol-Myers Squibb Company (US) 2011-03-23 EP disclosed
EP-1948665-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-07-30 EP disclosed
WO-2007050726-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 WO disclosed
WO-2007050726-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 WO disclosed
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20020137736-A1 N-(4-methoxy-3-((methylamino)methyl)phenyl)-2 -thiophenecarboximidamide, for example; nitric oxide synthase inhibitors; treating hypoxia, ischemia, stroke, Parkinson's disease, anxiety, schizophrenia, migraine and pain ASTRAZENECA AB (SE) 2002-09-26 US disclosed
WO-2001046170-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 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 (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-20020137736-A1 N-(4-methoxy-3-((methylamino)methyl)phenyl)-2 -thiophenecarboximidamide, for example; nitric oxide synthase inhibitors; treating hypoxia, ischemia, stroke, Parkinson's disease, anxiety, schizophrenia, migraine and pain OPRM1, HIF1AN, MAOB POLB 894/4885MEN1 3127/4885KMT2A 1679/4885
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists MCHR1, MCHR2, MC1R POLB 3995/4885MEN1 512/4885KMT2A 1468/4885
US-20180057465-A1 Inhibitors of Necroptosis RIPK3, RIPK1, AIFM1 POLB 3512/4885MEN1 3639/4885KMT2A 3461/4885

“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.