SCHEMBL16440397

SCHEMBL16440397

Cc1nc(C)c(-c2csc(NC(=O)C(C)(C)c3ccccc3)n2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.58
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
HTT P42858 2/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
OPRM1 P35372 1/20 0.52
PI4KB Q9UBF8 4/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
CFTR P13569 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.50
XDH P47989 1/20 0.50

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
SCHEMBL16440389 0.89 MEN1 (0.54) TRPV4LMNASMN1; SMN2HTTMAPT
SCHEMBL16434281 0.81 MAPT (0.69) TRPV4LMNASMN1; SMN2NPSR1HTT
SCHEMBL16434433 0.78 PI4KB (0.68) LMNASMN1; SMN2NPSR1HTTMAPT
SCHEMBL16434293 0.76 TRPV4 (0.57) TRPV4LMNASMN1; SMN2NPSR1HTT
SCHEMBL16434204 0.76 MAPT (0.70) TRPV4LMNASMN1; SMN2NPSR1HTT
SCHEMBL16440396 0.76 PI4KB (0.57) TRPV4LMNASMN1; SMN2NPSR1HTT
SCHEMBL16440485 0.76 SMN1; SMN2 (0.69) TRPV4LMNASMN1; SMN2NPSR1HTT
SCHEMBL16440387 0.76 TRPV4 (0.56) TRPV4LMNASMN1; SMN2NPSR1HTT
SCHEMBL18603074 0.75 MEN1 (0.54) TRPV4LMNASMN1; SMN2NPSR1HTT
SCHEMBL16440390 0.75 MEN1 (0.54) TRPV4LMNASMN1; SMN2NPSR1HTT

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 TRPV4 1/4885LMNA 2584/4885SMN1; SMN2 3980/4885
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 TRPV4 1/4885LMNA 2584/4885SMN1; SMN2 3980/4885

“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.