SCHEMBL975377

SCHEMBL975377

NC(=O)c1nc2c(s1)C(c1cccnc1)N(C(N)=O)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 1/20 0.38
CYP11B2 P19099 2/20 0.38
CYP11B1 P15538 1/20 0.38
KDM4E B2RXH2 5/20 0.35
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PIK3CG P48736 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
SARM1 Q6SZW1 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
SIRT4 Q9Y6E7 1/20 0.33
CYP3A4 P08684 2/20 0.33

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
SCHEMBL975760 0.76 ALDH1A1 (0.38) LHCGRALDH1A1OPRK1TSHR
SCHEMBL978099 0.69 HTR2C (0.46) LHCGRKDM4ECYP2D6CYP3A4CYP1A2
SCHEMBL978816 0.67 PTGDR2 (0.35)
SCHEMBL15529641 0.67 CHRNA7 (0.51) KDM4EALDH1A1NPSR1CYP3A4LMNA
SCHEMBL30593264 0.67 ESR1 (0.47) LHCGRCYP11B2CYP11B1CYP3A4
SCHEMBL30916121 0.65 MAP3K14 (0.34)
SCHEMBL38658031 0.65 ALDH1A1 (0.59) KDM4EALDH1A1LMNABLMALOX15
SCHEMBL31070639 0.65 TRPM8 (0.43) LHCGRCYP11B2ALDH1A1TSHR
SCHEMBL30916124 0.65 F10 (0.37)
SCHEMBL1962198 0.64 CHRNB2 (0.59) KDM4ECYP2C19ALDH1A1CYP3A4LMNA

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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US claimed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 LHCGR 2821/4885CYP11B2 2042/4885CYP11B1 1492/4885

“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.