SCHEMBL975760

SCHEMBL975760

NC(=O)c1nc2c(s1)C(c1ccccc1N)N(C(=O)NC1CCC(c3cccnc3)CC1)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LHCGR P22888 4/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
CYP46A1 Q9Y6A2 2/20 0.34
HSD11B1 P28845 1/20 0.33
OPRK1 P41145 2/20 0.33
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
KCNH2 Q12809 1/20 0.33
CALCRL Q16602 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
BRAF P15056 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31

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
SCHEMBL978097 0.91 TRPM8 (0.35) ALDH1A1L3MBTL1LHCGRTRPM8CYP46A1
SCHEMBL975382 0.83 PARP1 (0.34)
SCHEMBL976752 0.83 TRPM8 (0.47) LHCGRTRPM8OPRK1TMEM97SIGMAR1
SCHEMBL975042 0.81 CYP3A4 (0.40) ALDH1A1CYP2C9TSHR
SCHEMBL978816 0.79 PTGDR2 (0.35)
SCHEMBL979157 0.78 TRPM8 (0.46) LHCGRTRPM8OPRK1TMEM97SIGMAR1
SCHEMBL978006 0.77 FNTA (0.36)
SCHEMBL975377 0.76 LHCGR (0.38) ALDH1A1LHCGROPRK1TSHR
SCHEMBL976158 0.75 LMNA (0.46) ALDH1A1
SCHEMBL977592 0.75 HTT (0.34) CYP2C9

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-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
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 ALDH1A1 912/4885L3MBTL1 3669/4885LHCGR 2821/4885

“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.