SCHEMBL6722708

SCHEMBL6722708

Cc1ccc(NC(=O)C(N)c2ccsc2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.41
RAB9A P51151 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IDH2 P48735 1/20 0.41
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
F13A1 P00488 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
SCHEMBL6722715 0.80 ALDH1A1 (0.60) POLBROCK2ROCK1ALDH1A1KMT2A
SCHEMBL6722720 0.80 ALDH1A1 (0.60) POLBROCK2ROCK1ALDH1A1KMT2A
SCHEMBL8338028 0.78 NPC1 (0.47) POLBALDH1A1KMT2ARAB9AMAPT
SCHEMBL6716864 0.77 PGR (0.47) POLBALDH1A1RAB9ACYP1A2CYP3A4
SCHEMBL8327841 0.76 CTSS (0.41) POLBROCK2ROCK1ALDH1A1RAB9A
SCHEMBL6718293 0.76 ROCK2 (0.45) POLBROCK2ROCK1ALDH1A1KMT2A
SCHEMBL6719672 0.76 ALDH1A1 (0.47) POLBALDH1A1KMT2ARAB9ACYP1A2
SCHEMBL1105175 0.74 ROCK2 (0.46) ROCK2ROCK1CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL1095734 0.74 ROCK2 (0.69) ROCK2ROCK1
Hydrochloric Acid SCHEMBL1095737 0.74 ROCK2 (0.69) ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
WO-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO 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-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors SLC1A2, SLC1A1, SLC7A11 POLB 4412/4885ROCK2 4242/4885ROCK1 3247/4885

“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.