SCHEMBL16440484

SCHEMBL16440484

Cc1nc(C)c(-c2csc(NCC(C)c3ccc(Cl)cc3)n2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
HTT P42858 4/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 2/20 0.56
LMNA P02545 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 5/20 0.52
KDM4E B2RXH2 3/20 0.52
RAB9A P51151 3/20 0.52
MAPK1 P28482 1/20 0.52
NPY5R Q15761 2/20 0.51
TRPV4 Q9HBA0 8/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
NPC1 O15118 3/20 0.50
GFER P55789 1/20 0.48
TUBB4A P04350 1/20 0.48
TUBB P07437 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
SCHEMBL16434546 0.82 ALDH1A1 (0.47) SMN1; SMN2HTTALDH1A1HPGDHSD17B10
SCHEMBL16434477 0.80 MAPT (0.71) SMN1; SMN2HTTALDH1A1HPGDHSD17B10
SCHEMBL16440371 0.79 MEN1 (0.56) SMN1; SMN2HTTALDH1A1HPGDLMNA
SCHEMBL16440446 0.78 MEN1 (0.80) SMN1; SMN2HTTALDH1A1HPGDMAPT
SCHEMBL16440488 0.77 PIK3CG (0.74) SMN1; SMN2HTTALDH1A1HPGDHSD17B10
SCHEMBL12912141 0.74 TRPV4 (0.64) SMN1; SMN2HTTALDH1A1HPGDHSD17B10
SCHEMBL17917391 0.73 TRPV4 (0.66) SMN1; SMN2HSD17B10LMNAMAPTRAB9A
SCHEMBL17917342 0.73 TRPV4 (0.65) SMN1; SMN2ALDH1A1HSD17B10LMNAMAPT
SCHEMBL16434203 0.73 CFTR (0.72) SMN1; SMN2HTTALDH1A1HPGDLMNA
SCHEMBL12890437 0.73 TRPV4 (0.59) SMN1; SMN2HTTALDH1A1HPGDHSD17B10

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 SMN1; SMN2 3980/4885HTT 3347/4885ALDH1A1 3709/4885
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 SMN1; SMN2 3980/4885HTT 3347/4885ALDH1A1 3709/4885

“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.