SCHEMBL16434151

SCHEMBL16434151

CCOC(=O)c1nc(C)c(-c2csc(N)n2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
MAPT P10636 6/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 1/20 0.56
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
PIK3CG P48736 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
CLK1 P49759 1/20 0.47
TRPV4 Q9HBA0 1/20 0.45
CYP1A2 P05177 1/20 0.43
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL2835882 0.84 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL16434167 0.80 TRPV4 (0.56) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL2832349 0.74 PI4KB (0.64) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6500653 0.73 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL220846 0.73 RAB9A (0.97) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL4741066 0.73 KMT2A (0.57) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL289682 0.73 ALDH1A1 (0.61) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL24370287 0.73 CDC7 (0.42) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL29489001 0.73 CDC7 (0.42) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL4743571 0.72 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ANPC1

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 4 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
EP-2832731-A1 AROMATIC HETEROCYCLIC FIVE-MEMBERED RING DERIVATIVE HAVING TRPV4 INHIBITORY ACTIVITY Shionogi & Co., Ltd. (JP) 2015-02-04 EP 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 ALDH1A1 3709/4885MAPT 4306/4885MEN1 3938/4885
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 ALDH1A1 3709/4885MAPT 4306/4885MEN1 3938/4885

“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.