SCHEMBL976590

SCHEMBL976590

NC(=O)c1nc2c(s1)C(c1ccccc1N)N(C(=O)Nc1ccc3c(c1)OCO3)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 3/20 0.45
TRPC6 Q9Y210 3/20 0.45
SHMT2 P34897 1/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL977839 0.85 NPC1 (0.39) MAPTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL977977 0.85 LHCGR (0.38) TSHR
SCHEMBL975341 0.84 TP53 (0.41) SHMT2KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL979157 0.84 TRPM8 (0.46) TSHR
SCHEMBL977879 0.82 LHCGR (0.44) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL980003 0.82 MAPT (0.38) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL978995 0.82 LHCGR (0.47) HTTTSHR
SCHEMBL976474 0.82 TRPC3 (0.39) TRPC3TRPC6HTTSMN1; SMN2RAB9A
SCHEMBL977409 0.82 LIMK1 (0.36) KMT2AMEN1
SCHEMBL976752 0.81 TRPM8 (0.47) TSHR

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 TRPC3 4653/4885TRPC6 4552/4885SHMT2 1211/4885

“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.