SCHEMBL6886592

SCHEMBL6886592

COC(=O)[C@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])cc1C#CC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
FNTA P49354 5/20 0.42
FNTB P49356 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40

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
SCHEMBL6886588 1.00 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AL3MBTL1TAS1R3
SCHEMBL6778269 0.88 TAS1R3 (0.42) ALDH1A1MAPTTAS1R3TAS1R1
SCHEMBL6778272 0.88 TAS1R3 (0.42) ALDH1A1MAPTTAS1R3TAS1R1
SCHEMBL6777939 0.85 TAS1R3 (0.46) TAS1R3TAS1R1
SCHEMBL6777938 0.85 TAS1R3 (0.46) TAS1R3TAS1R1
SCHEMBL6776375 0.83 ADRB2 (0.41) ALDH1A1MAPTKMT2A
SCHEMBL6776372 0.83 ADRB2 (0.41) ALDH1A1MAPTKMT2A
SCHEMBL6775900 0.80 FNTA (0.61) ALDH1A1MAPTKMT2AFNTAFNTB
SCHEMBL6775897 0.80 FNTA (0.61) ALDH1A1MAPTKMT2AFNTAFNTB
SCHEMBL8365758 0.78 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AL3MBTL1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 ALDH1A1 1121/4885MAPT 4674/4885KMT2A 2967/4885

“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.