SCHEMBL4938340

SCHEMBL4938340

O=C(CN(Cc1cccc2ccccc12)C(=O)OCc1ccccc1)NCC1CC(Br)=NO1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 14/20 0.47
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
CASP1 P29466 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9825413 0.91 TGM2 (0.37) TGM2HDAC1HDAC6CASP1KDM4E
SCHEMBL9825626 0.89 TGM2 (0.37) TGM2HDAC1HDAC6CASP1KDM4E
SCHEMBL9825753 0.88 FNTA (0.36) TGM2HDAC1HDAC6CASP1KDM4E
SCHEMBL10818724 0.79 TGM2 (0.40) TGM2HDAC1HDAC6CASP1
SCHEMBL9826662 0.76 TGM2 (0.53) TGM2CASP1ALDH1A1
SCHEMBL9825150 0.76 KMT2A (0.43) HDAC1HDAC6CASP1KDM4EALDH1A1
SCHEMBL9825819 0.75 TDP1 (0.47) HDAC1HDAC6CASP1
SCHEMBL9825352 0.74 TGM2 (0.68) TGM2ALDH1A1
SCHEMBL4598758 0.74 TGM2 (0.62) TGM2ALDH1A1
SCHEMBL5141370 0.72 TGM2 (0.60) TGM2

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 7 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-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 16/4885HDAC1 1080/4885HDAC6 2233/4885

“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.