SCHEMBL335510

SCHEMBL335510

O=[C]/C=C/c1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.53
BCHE P06276 1/20 0.42
LY96 Q9Y6Y9 1/20 0.41
IKBKB O14920 1/20 0.39
DYRK2 Q92630 1/20 0.39
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
FGFR3 P22607 1/20 0.38
KMT2A Q03164 6/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 5/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
RAB9A P51151 1/20 0.36
RELA Q04206 1/20 0.36
USP2 O75604 1/20 0.34
MAPT P10636 2/20 0.33
EGFR P00533 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL11042660 1.00 HSD11B1 (0.53) HSD11B1BCHELY96IKBKBDYRK2
SCHEMBL3811810 0.84 LMNA (0.41) HSD11B1KMT2AMEN1MAPTLMNA
SCHEMBL21457575 0.78 HSD11B1 (0.48) HSD11B1BCHELY96IKBKBDYRK2
SCHEMBL2000509 0.78 HSD11B1 (0.48) HSD11B1BCHELY96IKBKBDYRK2
SCHEMBL8900317 0.78 HSD11B1 (0.62) HSD11B1BCHELY96IKBKBDYRK2
SCHEMBL31613215 0.78 HSD11B1 (0.62) HSD11B1BCHELY96IKBKBDYRK2
SCHEMBL1751871 0.78 HSD11B1 (0.62) HSD11B1BCHELY96IKBKBDYRK2
SCHEMBL297691 0.78 HSD11B1 (0.62) HSD11B1BCHELY96IKBKBDYRK2
SCHEMBL7660222 0.76 LMNA (0.59) KMT2AMEN1LMNATHRBBLM
SCHEMBL11043872 0.74 APP (0.42) KMT2AMEN1MAPTLMNATHRB

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
CN-114790185-B Coumarin oxime ester compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 五邑大学 2023-09-19 CN disclosed
CN-114790185-A Coumarin oxime ester compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 五邑大学 2022-07-26 CN disclosed
US-20140128380-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC1 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2014-05-08 US disclosed
US-8097582-B2 Peptide derivatives useful as antimicrobial agents and for treating wounds NEOBIOTICS AB (SE) 2012-01-17 US disclosed
US-20100247648-A1 ANTIMICROBIAL COMPOUNDS NEOBIOTICS AB (SE) 2010-09-30 US disclosed
US-7691805-B2 Antimicrobial compounds NEOBIOTICS AB (SE) 2010-04-06 US disclosed
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS ZULA DIAGNOSTICS AB (SE) 2009-05-07 US disclosed
US-20080255055-A1 Use of Derivatives of Dipeptides for the Manufacture of of a Medicament for the Treamtent of Microbial Infections NEOBIOTICS AB (SE) 2008-10-16 US disclosed
US-20060116327-A1 Dipeptide derivatives with active agents to formulate one composition to reduce, eliminate more than one microorganism; effect against a broad spectrum of microorganisms; mechanism of action on pathogen may be on a basic level; low probability for developing resistance NEOBIOTICS AB (SE) 2006-06-01 US disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed
US-4438277-A Hydronaphthalene derivatives SANKYO COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4361515-A Antihyperlipemic dihydro-ML-236B derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1982-11-30 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 (5 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-20060116327-A1 Dipeptide derivatives with active agents to formulate one composition to reduce, eliminate more than one microorganism; effect against a broad spectrum of microorganisms; mechanism of action on pathogen may be on a basic level; low probability for developing resistance ARG1, ARGLU1, VIP HSD11B1 3797/4885BCHE 1075/4885LY96 2971/4885
US-20080255055-A1 Use of Derivatives of Dipeptides for the Manufacture of of a Medicament for the Treamtent of Microbial Infections VIP, ARG1, PEPD HSD11B1 4005/4885BCHE 2846/4885LY96 769/4885
US-20140128380-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC1 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC1R, MC5R, MC3R HSD11B1 1034/4885BCHE 4654/4885LY96 2856/4885
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS VIP, NGLY1, ARG1 HSD11B1 4370/4885BCHE 2698/4885LY96 696/4885
US-20100247648-A1 ANTIMICROBIAL COMPOUNDS ARG1, C1R, ARG2 HSD11B1 3410/4885BCHE 3431/4885LY96 4300/4885

“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.