SCHEMBL975042

SCHEMBL975042

NC(=O)c1nc2c(s1)C(c1ccccc1N)N(C(=O)NCc1cccnc1)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
SCD O00767 4/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
DUSP3 P51452 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FPR1 P21462 2/20 0.38
CFD P00746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL976158 0.91 LMNA (0.46) PTGDR2LMNATP53ALDH1A1KMT2A
SCHEMBL976752 0.85 TRPM8 (0.47) TSHRCYP2C9
SCHEMBL976324 0.81 HHAT (0.37) PTGDR2LMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL979157 0.81 TRPM8 (0.46) TSHRCYP2C9
SCHEMBL976721 0.80 PTGDR2 (0.38) PTGDR2SMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL978006 0.79 FNTA (0.36) PTGDR2
SCHEMBL977592 0.79 HTT (0.34) CYP3A4CYP2C19PTGDR2CYP2C9
SCHEMBL977839 0.77 NPC1 (0.39) POLBTP53SMN1; SMN2ALDH1A1TSHR
SCHEMBL978097 0.76 TRPM8 (0.35) PTGDR2ALDH1A1TSHRCYP2C9
SCHEMBL975382 0.76 PARP1 (0.34) PTGDR2

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 CYP3A4 1362/4885CYP2C19 2093/4885POLB 1365/4885

“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.