SCHEMBL3334008

SCHEMBL3334008

NC(=O)CC[C@H]1CN(c2ccc3c(c2)NC(=O)CS3)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
POLB P06746 3/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GRM2 Q14416 6/20 0.38
TRPV1 Q8NER1 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
F10 P00742 2/20 0.36

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
SCHEMBL1723608 1.00 HTT (0.42) HTTPOLBALDH1A1LMNAGRM2
SCHEMBL3328496 1.00 HTT (0.42) HTTPOLBALDH1A1LMNAGRM2
SCHEMBL591467 0.88 GRM2 (0.41) HTTGRM2TRPV1F10
SCHEMBL1712464 0.88 GRM2 (0.41) HTTGRM2TRPV1F10
SCHEMBL1712414 0.88 HTT (0.43) HTTPOLBALDH1A1LMNAGRM2
SCHEMBL1712026 0.88 GRM2 (0.41) HTTGRM2TRPV1F10
SCHEMBL1222807 0.88 HTT (0.43) HTTPOLBALDH1A1LMNAGRM2
SCHEMBL2239583 0.88 HTT (0.43) HTTPOLBALDH1A1LMNAGRM2
SCHEMBL1711810 0.86 HTT (0.41) HTTPOLBALDH1A1LMNAGRM2
SCHEMBL1711838 0.86 HTT (0.41) HTTPOLBALDH1A1LMNAGRM2

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-8916573-B2 Quinazoline-2,4-dione derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-12-23 US disclosed
US-20140171425-A1 QUINAZOLINE-2,4-DIONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2014-06-19 US disclosed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 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 (2 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-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES OXA1L, XDH, CCNY HTT 3101/4885POLB 453/4885ALDH1A1 1130/4885
US-20140171425-A1 QUINAZOLINE-2,4-DIONE DERIVATIVES NQO2, H1-3, H1-0 HTT 2518/4885POLB 2023/4885ALDH1A1 1666/4885

“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.