SCHEMBL13912446

SCHEMBL13912446

COC(=O)c1ccc(C(=O)CC(=O)c2cccnc2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ PLOD2 O00469 2/20 0.57
▸ CYP3A4 P08684 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ KMT2A Q03164 5/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PLOD3 O60568 1/20 0.49
▸ PLOD1 Q02809 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL10320930 0.79 PLOD2 (0.89) ALDH1A1PLOD2CYP3A4MAPTCYP2C9
SCHEMBL29554726 0.79 PLOD2 (0.89) ALDH1A1PLOD2CYP3A4MAPTCYP2C9
SCHEMBL31661891 0.77 MEN1 (0.61) ALDH1A1CYP3A4MAPTCYP2C9PKM
SCHEMBL82139 0.76 PLOD2 (0.67) ALDH1A1PLOD2CYP3A4MAPTKMT2A
SCHEMBL30489909 0.76 PLOD2 (0.67) ALDH1A1PLOD2CYP3A4MAPTKMT2A
Methyl Nicotinate SCHEMBL29386553 0.76 ALDH1A1 (1.00) ALDH1A1KMT2ALMNAHPGDHSD17B10
Methyl Nicotinate SCHEMBL24566 0.76 ALDH1A1 (1.00) ALDH1A1KMT2ALMNAHPGDHSD17B10
Methyl Nicotinate SCHEMBL820747 0.76 ALDH1A1 (1.00) ALDH1A1KMT2ALMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL6946997 0.75 PLOD2 (0.65) ALDH1A1PLOD2CYP3A4MAPTKMT2A
SCHEMBL15390076 0.74 KMT2A (0.69) ALDH1A1PLOD2MAPTPKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501446-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2009-03-10 — — US disclosed
US-20070149549-A1 3-(Pyrid-3-yl)-5-(thiophen-2-yl)-pyrazoles; prenyl-protein transferase inhibitors PHARMACEUTICAL PRODUCT DEVELOPMENT, LLC 2007-06-28 — — US disclosed
US-7166619-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY , INC. (US) 2007-01-23 — — 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-20070149549-A1 3-(Pyrid-3-yl)-5-(thiophen-2-yl)-pyrazoles; prenyl-protein transferase inhibitors FNTA, PTAR1, ZMPSTE24 ALDH1A1 3452/4885PLOD2 3370/4885CYP3A4 727/4885

“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.

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