SCHEMBL1774489

SCHEMBL1774489

COC(=O)c1ccc(C(=O)c2ccc(CBr)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.59
CYP4A11 Q02928 2/20 0.54
CYP4F2 P78329 1/20 0.53
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA7 P43166 1/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL33494 0.94 LOXL2 (0.66) LOXL2CYP4A11CYP4F2CA1CA2
Bromide SCHEMBL4809006 0.92 LOXL2 (0.63) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL4050879 0.92 LOXL2 (0.63) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL7021444 0.89 LOXL2 (0.59) LOXL2CYP4A11CYP4F2CA1CA2
Acetonitrile SCHEMBL23628987 0.86 LOXL2 (0.56) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL2839451 0.86 CA1 (0.56) LOXL2CYP4A11CYP4F2CA1CA2
4-Methylbenzoic Acid Methyl Ester SCHEMBL7376893 0.84 TDP1 (0.67) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL187134 0.84 CES2 (0.61) MAPTKMT2ATSHRALDH1A1HPGD
SCHEMBL2337244 0.84 CA1 (0.70) LOXL2CYP4A11CA1CA2CA12
SCHEMBL9541276 0.84 CES2 (0.61) MAPTKMT2ATSHRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-05-12 US disclosed
EP-0888389-B1 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS SURMODICS INC (US) 2004-08-04 EP disclosed
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
EP-0888389-A4 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS SURMODICS INC (US) 2001-03-14 EP disclosed
US-5942555-A Photoactivatable chain transfer agents and semi-telechelic photoactivatable polymers prepared therefrom SURMODICS, INC. (US) 1999-08-24 US disclosed
EP-0888389-A1 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS SurModics, Inc. (US) 1999-01-07 EP disclosed
US-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
WO-1997034935-A1 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS BSI CORPORATION (US) 1997-09-25 WO disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed
US-4040923-A COATINGS, MOLDINGS EASTMAN KODAK COMPANY (US) 1977-08-09 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 (1 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-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof GIPR, PGC, DDC LOXL2 2751/4885CYP4A11 261/4885CYP4F2 209/4885

“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.