SCHEMBL16440488

SCHEMBL16440488

Cc1nc(C)c(-c2csc(NCC(O)c3ccccc3)n2)s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.74
SMN1; SMN2 Q16637 4/20 0.65
HPGD P15428 4/20 0.65
ALDH1A1 P00352 4/20 0.65
LMNA P02545 3/20 0.65
HTT P42858 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
HSD17B10 Q99714 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
KDM4E B2RXH2 6/20 0.60
MAPT P10636 6/20 0.60
TRPV4 Q9HBA0 5/20 0.59
RAB9A P51151 4/20 0.55
MAPK1 P28482 3/20 0.55
OPRM1 P35372 3/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
NPC1 O15118 4/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 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
SCHEMBL4533996 0.85 PIK3CG (1.00) PIK3CGSMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL16440427 0.77 MAPT (0.89) SMN1; SMN2HPGDALDH1A1LMNAHTT
SCHEMBL16440484 0.77 SMN1; SMN2 (0.56) SMN1; SMN2HPGDALDH1A1LMNAHTT
SCHEMBL16434293 0.75 TRPV4 (0.57) PIK3CGSMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL16440454 0.75 TRPV4 (1.00) SMN1; SMN2HPGDALDH1A1LMNAHTT
SCHEMBL16434492 0.74 SMN1; SMN2 (0.65) PIK3CGSMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL16440485 0.74 SMN1; SMN2 (0.69) SMN1; SMN2HPGDALDH1A1LMNAHTT
SCHEMBL16440387 0.74 TRPV4 (0.56) PIK3CGSMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL16434281 0.72 MAPT (0.69) SMN1; SMN2HPGDALDH1A1LMNAHTT
SCHEMBL16434181 0.72 SMN1; SMN2 (0.62) SMN1; SMN2HPGDALDH1A1LMNAHTT

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 PIK3CG 2337/4885SMN1; SMN2 3980/4885HPGD 3657/4885
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 PIK3CG 2337/4885SMN1; SMN2 3980/4885HPGD 3657/4885

“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.