SCHEMBL2589453

SCHEMBL2589453

Fc1cc2ccccc2[c]n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
ACHE P22303 1/20 0.31
NQO2 P16083 1/20 0.30

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
SCHEMBL9870201 0.79 ALDH1A1 (0.35) CYP2A6NPC1MAPTALDH1A1GLA
SCHEMBL558134 0.74 CYP1A2 (0.43) CYP1A2CYP2A6NPC1MAPTALDH1A1
SCHEMBL9479758 0.74 MIF (0.31) MAPTALDH1A1GLAHPGDACHE
SCHEMBL3643104 0.74 ALDH1A1 (0.34) CYP2A6MAPTALDH1A1GLAHPGD
SCHEMBL1879034 0.74 PDPK1 (0.43) CYP1A2NPC1MAPTALDH1A1GLA
SCHEMBL636922 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL637845 0.74 HSD17B10 (0.39) CYP1A2HPGD
SCHEMBL637345 0.72 MEN1 (0.43) NPC1MAPTALDH1A1HPGD
SCHEMBL21436333 0.70 F2RL3 (0.32)
SCHEMBL6841772 0.69 HTR2A (0.35) CYP1A2CYP2A6

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-10829466-B2 Stilbene derivative and preparation method thereof BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-11-10 US claimed
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-05-14 US claimed
EP-2563796-B1 AZA-BICYCLIC AMINE N-OXIDE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGAND PRO-DRUGS BRISTOL MYERS SQUIBB CO (US) 2015-03-18 EP claimed
US-8481555-B2 Aza-bicyclic amine N-oxide compounds as alpha-7 nicotinic acetylcholine receptor ligand pro-drugs BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-09 US claimed
EP-2563796-A1 AZA-BICYCLIC AMINE N-OXIDE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGAND PRO-DRUGS Bristol-Myers Squibb Company (US) 2013-03-06 EP claimed
US-20120108596-A1 Aza-Bicyclic Amine N-Oxide Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligand Pro-Drugs BRISTOL-MYERS SQUIBB COMPANY 2012-05-03 US claimed
WO-2011137313-A1 AZA-BICYCLIC AMINE N-OXIDE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGAND PRO-DRUGS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-03 WO claimed
US-10829466-B2 Stilbene derivative and preparation method thereof BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-11-10 US disclosed
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-05-14 US disclosed
EP-2563796-B1 AZA-BICYCLIC AMINE N-OXIDE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGAND PRO-DRUGS BRISTOL MYERS SQUIBB CO (US) 2015-03-18 EP disclosed
US-8481555-B2 Aza-bicyclic amine N-oxide compounds as alpha-7 nicotinic acetylcholine receptor ligand pro-drugs BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-09 US disclosed
EP-2563796-A1 AZA-BICYCLIC AMINE N-OXIDE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGAND PRO-DRUGS Bristol-Myers Squibb Company (US) 2013-03-06 EP disclosed
US-20120108596-A1 Aza-Bicyclic Amine N-Oxide Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligand Pro-Drugs BRISTOL-MYERS SQUIBB COMPANY 2012-05-03 US disclosed
WO-2011137313-A1 AZA-BICYCLIC AMINE N-OXIDE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGAND PRO-DRUGS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-03 WO disclosed
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP 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-10829466-B2 Stilbene derivative and preparation method thereof STS, F12, GLB1 CYP1A2 210/4885CYP2A6 134/4885NPC1 1617/4885
US-20120108596-A1 Aza-Bicyclic Amine N-Oxide Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligand Pro-Drugs CHRNA7, CHRNA5, CHRNA9 CYP1A2 558/4885CYP2A6 863/4885NPC1 1302/4885
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF STS, F12, STK38L CYP1A2 325/4885CYP2A6 182/4885NPC1 1139/4885

“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.