SCHEMBL16440396

SCHEMBL16440396

Cc1nc(C)c(-c2csc(NC(=O)CC(C)(C)C)n2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 4/20 0.57
PIK3CG P48736 1/20 0.53
HTT P42858 3/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TRPV4 Q9HBA0 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
OPRM1 P35372 2/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 1/20 0.49
GAA P10253 1/20 0.48
XDH P47989 1/20 0.48

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
SCHEMBL16434083 0.89 PI4KB (0.56) PI4KBPIK3CGHTTLMNASMN1; SMN2
SCHEMBL16434322 0.84 ALDH1A1 (0.63) PI4KBHTTLMNASMN1; SMN2NPSR1
SCHEMBL16434079 0.83 PI4KB (0.55) PI4KBPIK3CGHTTLMNASMN1; SMN2
SCHEMBL16434007 0.82 MAPT (0.64) PI4KBHTTLMNASMN1; SMN2NPSR1
SCHEMBL16434235 0.81 PI4KB (0.56) PI4KBHTTLMNASMN1; SMN2NPSR1
SCHEMBL16434433 0.81 PI4KB (0.68) PI4KBPIK3CGHTTLMNASMN1; SMN2
SCHEMBL16434168 0.81 PI4KB (0.55) PI4KBHTTLMNASMN1; SMN2NPSR1
SCHEMBL16437822 0.81 MAPT (0.65) PI4KBHTTLMNASMN1; SMN2NPSR1
SCHEMBL16434314 0.80 KMT2A (0.59) PI4KBHTTLMNASMN1; SMN2NPSR1
SCHEMBL16434172 0.80 PI4KB (0.56) PI4KBHTTLMNASMN1; SMN2NPSR1

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-20170066759-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY SHIONOGI & CO (JP) 2017-03-09 US disclosed
US-9499533-B2 Aromatic 5-membered heterocyclic derivative having TRPV4-Inhibiting activity SHIONOGI & CO., LTD. (JP) 2016-11-22 US disclosed
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-02-05 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 (2 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-20170066759-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 PI4KB 1755/4885PIK3CG 2337/4885HTT 3347/4885
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 PI4KB 1755/4885PIK3CG 2337/4885HTT 3347/4885

“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.