SCHEMBL13637128

SCHEMBL13637128

Cc1ccc(-c2nnn(C)n2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
EPHX2 P34913 1/20 0.35
NFKB1 P19838 3/20 0.34
NFKB2 Q00653 3/20 0.34
RELA Q04206 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL8212044 0.81 ALDH1A1 (0.40) TRPM8NPC1ALDH1A1HSD17B10MAPT
SCHEMBL2898484 0.81 EPHX2 (0.36) TRPM8NPC1ALDH1A1HSD17B10MAPT
SCHEMBL10162476 0.79 PPARA (0.34) HSF1TRPM8NPC1ALDH1A1MAPT
SCHEMBL6156434 0.76 EPHX2 (0.33) TRPM8EPHX2PPARA
SCHEMBL10130594 0.75 NPC1 (0.33) TRPM8NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6156613 0.75 TRPM8 (0.32) TRPM8EPHX2
SCHEMBL24849849 0.74 ABCG2 (0.51) NPC1ALDH1A1MAPTRAB9ANFKB1
SCHEMBL16674530 0.74 NPC1 (0.45) HSF1NPC1ALDH1A1HSD17B10MAPT
SCHEMBL6156671 0.70 TRPM8 (0.35) TRPM8NPC1RAB9ASMN1; SMN2TP53
SCHEMBL11996681 0.69 HSF1 (0.38) HSF1NPC1ALDH1A1HSD17B10MAPT

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-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 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-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 HSF1 4748/4885TRPM8 2973/4885NPC1 77/4885

“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.