SCHEMBL1358076

SCHEMBL1358076

O=C(CCl)Nc1nc(Br)cs1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CGAS Q8N884 1/20 0.47
CDK5 Q00535 6/20 0.46
CDK5R1 Q15078 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ELOVL1 Q9BW60 1/20 0.39
PDE5A O76074 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39

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
SCHEMBL21224439 0.83 CA1 (0.41) SMN1; SMN2KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL11595205 0.81 CGAS (0.48) CGASCDK5CDK5R1SMN1; SMN2KMT2A
SCHEMBL1358356 0.79 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL22290987 0.79 MAPK1 (0.47) SMN1; SMN2ALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL706986 0.78 L3MBTL1 (0.44) SMN1; SMN2KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL14350428 0.77 KMT2A (0.58) CGASCDK5CDK5R1SMN1; SMN2KMT2A
SCHEMBL28673478 0.77 KDM4E (0.40) SMN1; SMN2KMT2ANPC1RAB9ALMNA
SCHEMBL13681839 0.77 L3MBTL1 (0.61) SMN1; SMN2KMT2ANPC1RAB9ALMNA
SCHEMBL28675112 0.76 CYP1A2 (0.42) SMN1; SMN2KMT2ACYP1A2CYP2C19NPC1
SCHEMBL9687478 0.76 L3MBTL1 (0.47) CGASCDK5CDK5R1SMN1; SMN2KMT2A

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-8481577-B2 Amide thiazole derivative, preparation method and uses thereof TIANJIN INSTITUTE OF PHARMACEUTICAL RESEARCH (CN) 2013-07-09 US disclosed
EP-2404909-B1 AMIDE THIAZOLE DERIVATIVE, PREPARATION METHOD AND USES THEREOF TIANJIN INST PHARM RESEARCH (CN) 2013-05-29 EP disclosed
EP-2404909-A1 AMIDE THIAZOLE DERIVATIVE, PREPARATION METHOD AND USES THEREOF Tianjin Institute Of Pharmaceutical Research (CN) 2012-01-11 EP disclosed
US-20110281922-A1 AMIDE THIAZOLE DERIVATIVE, PREPARATION METHOD AND USES THEREOF TIANJIN INSTITUTE OF PHARMACEUTICAL RESEARCH (CN) 2011-11-17 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-20110281922-A1 AMIDE THIAZOLE DERIVATIVE, PREPARATION METHOD AND USES THEREOF DPP4, DPP3, DPP7 CGAS 3323/4885CDK5 771/4885CDK5R1 1097/4885

“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.