SCHEMBL21695751

SCHEMBL21695751

COCCOC(=O)Nc1cccc(SC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
TP53 P04637 2/20 0.55
RAB9A P51151 2/20 0.55
TSHR P16473 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 2/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.52
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL24434320 0.84 MEN1 (0.52) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL172243 0.84 MEN1 (0.52) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL29410992 0.84 MEN1 (0.52) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL21695750 0.84 MEN1 (0.66) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL14820333 0.84 SMN1; SMN2 (0.66) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL16145901 0.83 MEN1 (0.60) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL3216214 0.81 MEN1 (0.49) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL3204560 0.81 MEN1 (0.49) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL12972062 0.81 HPGD (0.57) MEN1KMT2AMAPTTP53RAB9A
SCHEMBL8211088 0.81 MAPK1 (0.57) MEN1KMT2AMAPTSMN1; SMN2TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease LYCERA CORPORATION (US) 2020-02-11 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 (1 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-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease ROCK1, ROCK2, TNK2 MEN1 3494/4885KMT2A 1854/4885MAPT 1874/4885

“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.