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SCHEMBL4598486

SCHEMBL4598486

CC(=O)N(c1cccc2ccccc12)[C@@H](C)C(=O)NCC1CC(Br)=NO1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 14/20 0.43
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MMP9 P14780 1/20 0.32

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
SCHEMBL9827027 0.90 TGM2 (0.35) TGM2NFKB1NFKB2RELAKDM4E
SCHEMBL9825633 0.90 LMNA (0.36) TGM2NFKB1NFKB2RELAKDM4E
SCHEMBL9826958 0.87 TGM2 (0.33) TGM2NFKB1NFKB2RELAKDM4E
SCHEMBL9826662 0.87 TGM2 (0.53) TGM2ALDH1A1HPGDHSD17B10
SCHEMBL4934726 0.78 TGM2 (0.44) TGM2ALDH1A1HPGDHSD17B10LMNA
SCHEMBL9825126 0.78 TGM2 (0.43) TGM2ALDH1A1HPGDHSD17B10LMNA
SCHEMBL9825407 0.76 TGM2 (0.42) TGM2ALDH1A1HPGDHSD17B10
SCHEMBL9825275 0.73 ALDH1A1 (0.51) ALDH1A1HPGDHSD17B10LMNAMMP9
SCHEMBL6138885 0.70 NPSR1 (0.44) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9826651 0.69 TGM2 (0.53) TGM2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 — — EP claimed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 — — EP claimed
US-20080299170-A1 Medical Devices and Coatings Therefor ASTON UNIVERSITY (GB) 2008-12-04 — — US disclosed
EP-1907027-A2 MEDICAL DEVICES AND COATINGS THEREFOR Aston University (GB) 2008-04-09 — — EP disclosed
WO-2007010201-A2 MEDICAL DEVICES AND COATINGS THEREFOR ASTON UNIVERSITY (GB) 2007-01-25 — — WO disclosed
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 — — EP disclosed
US-4929630-A SKIN DISORDERS, ACNE, 4,5-DIHYDROISOOXAZOLE PEPTIDES SYNTEX (U.S.A.) INC. (US) 1990-05-29 — — US disclosed
US-4912120-A Containing amine and amide substitution SYNTEX (U.S.A.) INC. (US) 1990-03-27 — — US disclosed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 — — 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 (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-20080299170-A1 Medical Devices and Coatings Therefor F8, HABP2, TFPI TGM2 16/4885NFKB1 4149/4885NFKB2 4323/4885

“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.