SCHEMBL6789873

SCHEMBL6789873

O=[N+]([O-])c1ccc2scc(Br)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.43
TLR9 Q9NR96 1/20 0.43
MAPT P10636 1/20 0.43
AHR P35869 1/20 0.43
MCL1 Q07820 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
MIF P14174 1/20 0.41
CYP2A6 P11509 1/20 0.41
PDE7A Q13946 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
TXNRD1 Q16881 2/20 0.41
TXNRD3 Q86VQ6 2/20 0.41
TXNRD2 Q9NNW7 2/20 0.41
HSD17B10 Q99714 1/20 0.40
SNCA P37840 1/20 0.40

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
SCHEMBL30059668 1.00 G6PD (0.43) G6PDTLR9MAPTAHRMCL1
SCHEMBL25221160 0.86 PHOSPHO1 (0.43) MAPTTDP1ALDH1A1CYP3A4PDE7A
SCHEMBL10375442 0.81 CYP2A6 (0.57) G6PDTLR9MAPTTDP1ALDH1A1
SCHEMBL5256400 0.81 TDP1 (0.50) G6PDTLR9MAPTTDP1ALDH1A1
SCHEMBL5338932 0.81 ALDH1A1 (0.52) G6PDTLR9MAPTTDP1ALDH1A1
SCHEMBL4263947 0.77 TSHR (0.42) G6PDTLR9MAPTALDH1A1MIF
SCHEMBL2844302 0.77 ALDH1A1 (0.51) G6PDTLR9MAPTTDP1ALDH1A1
SCHEMBL6790964 0.76 KMT2A (0.53) MAPTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL11118149 0.75 SMN1; SMN2 (0.50) G6PDTLR9MAPTAHRMCL1
SCHEMBL23612371 0.75 PTGES (0.50) G6PDTLR9MAPTTDP1ALDH1A1

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
US-12612413-B2 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (CN) 2026-04-28 US disclosed
EP-4085059-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE HK LTD (HK) 2024-03-20 EP disclosed
US-20230121233-A1 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2023-04-20 US disclosed
WO-2021138694-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2021-07-08 WO disclosed
US-6767907-B2 FOR THERAPY OF PSYCHIC AND NEUROLOGIC DISORDERS H. LUNDBECK A/S (DK) 2004-07-27 US disclosed
US-6743808-B1 PSYCHOLOGICAL AND NEUROLOGIC DISORDERS; CENTRAL SEROTONERGIC 5-HT1A AND 5-HT2A RECEPTOR ANTAGONISTS H. LUNDBECK A/S (DK) 2004-06-01 US disclosed
EP-1003738-B1 BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-11-19 EP disclosed
US-20030195356-A1 4-Aryl-1-(indanmethyl dihydrobenzofuranmethyl or dihydrobenzothiophenemethyl) piperidines tetrahydropyridines or piperazines PERREGAARD JENS KRISTIAN (DK) 2003-10-16 US disclosed
US-6391891-B1 ANTISEROTONINE AGENT; ANXIOLYTIC AGENTS, ANTIDEPRESSANTS SMITHKLINE BEECHAM PLC (GB) 2002-05-21 US disclosed
US-6218394-B1 FOR THERAPY OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, SUCH AS GENERALISED ANXIETY DISORDER, PANIC DISORDER H. LUNDBECK A/S (DK) 2001-04-17 US disclosed
EP-0765311-B1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES LUNDBECK & CO AS H (DK) 2000-10-04 EP disclosed
EP-1003738-A1 BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-05-31 EP disclosed
WO-1999007700-A1 BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1999-02-18 WO disclosed
EP-0765311-A1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES H. LUNDBECK A/S (DK) 1997-04-02 EP disclosed
WO-1995033721-A1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES H. LUNDBECK A/S (DK) 1995-12-14 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-12612413-B2 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same CASP6, CASP3, BAX G6PD 355/4885TLR9 564/4885MAPT 592/4885
US-20030195356-A1 4-Aryl-1-(indanmethyl dihydrobenzofuranmethyl or dihydrobenzothiophenemethyl) piperidines tetrahydropyridines or piperazines CNR1, TPH1, CNR2 G6PD 3011/4885TLR9 2294/4885MAPT 2538/4885
US-20230121233-A1 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same BAX, PDCD1, PDCD4 G6PD 433/4885TLR9 766/4885MAPT 1983/4885

“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.