SCHEMBL4757092

SCHEMBL4757092

CCCc1csc(NC(=O)c2cc(C)cc(Cl)c2)n1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.60
HTT P42858 1/20 0.60
PDE5A O76074 1/20 0.59
GRM5 P41594 2/20 0.49
GCK P35557 1/20 0.49
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
CYP3A4 P08684 3/20 0.47
MAPT P10636 5/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDR P35968 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SCD O00767 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL4757358 0.80 MAPT (0.50) MAPK1HTTPDE5AGRM5GCK
SCHEMBL4757054 0.76 PDE5A (0.47) MAPK1HTTPDE5AGCKLMNA
SCHEMBL4756969 0.76 FDPS (0.46) HTTLMNATSHRCYP3A4MAPT
SCHEMBL20662872 0.76 MAPT (0.64) MAPK1HTTPDE5ALMNATSHR
SCHEMBL4757309 0.75 NPC1 (0.47) MAPK1PDE5AGCKCYP3A4MAPT
SCHEMBL9570944 0.73 SMN1; SMN2 (0.69) HTTLMNAKMT2AALDH1A1
SCHEMBL10131601 0.71 GRM5 (0.47) MAPK1HTTPDE5AGRM5GCK
SCHEMBL10114414 0.71 GRM5 (0.68) HTTGRM5GCKCYP3A4MAPT
SCHEMBL11222597 0.71 SMN1; SMN2 (0.49) MAPK1PDE5ALMNATSHRMEN1
SCHEMBL10114477 0.70 GRM5 (0.46) MAPK1HTTPDE5AGRM5GCK

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-8895752-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES L.C. (US) 2014-11-25 US disclosed
US-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-17 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-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC MAPK1 3595/4885HTT 1888/4885PDE5A 4694/4885

“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.