SCHEMBL3406697

SCHEMBL3406697

COC(=O)c1sc(Cl)nc1-c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.44
KMT2A Q03164 8/20 0.38
CYP1A2 P05177 2/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 4/20 0.38
KDM4E B2RXH2 3/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
CISD2 Q8N5K1 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MAPK1 P28482 1/20 0.36
MAPK10 P53779 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL3400983 0.83 ECE1 (0.44) ECE1KMT2ACYP1A2POLBMEN1
SCHEMBL3406390 0.73 LMNA (0.41) KMT2APOLBNPSR1MEN1KDM4E
SCHEMBL3405221 0.73 LMNA (0.41) KMT2ACYP1A2POLBNPSR1CYP2C9
SCHEMBL1552538 0.73 LMNA (0.36) KMT2APOLBMEN1KDM4ETSHR
SCHEMBL11278098 0.72 LMNA (0.64) KMT2ACYP1A2NPSR1CYP2C9CYP2C19
SCHEMBL11289442 0.72 MAPT (0.52) KMT2ANPSR1KDM4ELMNAMAPT
SCHEMBL3406917 0.72 ALDH1A1 (0.46) KMT2APOLBMEN1KDM4ELMNA
SCHEMBL13993308 0.72 NPSR1 (0.41) KMT2ACYP1A2POLBNPSR1CYP2C9
SCHEMBL3406920 0.72 ALDH1A1 (0.43) KMT2ACYP1A2POLBKDM4ETSHR
SCHEMBL29228590 0.72 KMT2A (0.50) ECE1KMT2ACYP1A2POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 WO disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 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-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 NISCH, PIR, QDPR ECE1 2683/4885KMT2A 3382/4885CYP1A2 156/4885

“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.