SCHEMBL4479358

SCHEMBL4479358

COc1ccc(Nc2sc(C(=O)c3cc(-c4ccc(Cl)cc4Cl)no3)c(N)c2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
POLB P06746 3/20 0.49
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C19 P33261 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 9/20 0.46
MELK Q14680 3/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 2/20 0.46
ALOX12 P18054 1/20 0.46
GAA P10253 1/20 0.45
MAPK1 P28482 2/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 3/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4478960 0.80 CYP1A2 (0.46) KMT2APOLBCYP1A2CYP3A4CYP2C19
SCHEMBL632367 0.80 ALDH1A1 (0.67) KMT2APOLBCYP1A2CYP3A4CYP2C19
SCHEMBL4481501 0.80 ALDH1A1 (0.67) KMT2APOLBCYP1A2CYP3A4CYP2C19
SCHEMBL4480166 0.78 MAPT (0.62) KMT2APOLBSMN1; SMN2MAPTMELK
SCHEMBL4472933 0.77 ALDH1A1 (0.53) KMT2APOLBCYP1A2CYP3A4CYP2C19
SCHEMBL4467376 0.77 MELK (0.46) KMT2APOLBCYP1A2CYP3A4CYP2C19
SCHEMBL13711812 0.76 CYP1A2 (0.41) KMT2APOLBCYP1A2CYP3A4CYP2C19
SCHEMBL2132475 0.76 ALDH1A1 (0.74) KMT2APOLBCYP1A2CYP3A4CYP2C19
SCHEMBL4472104 0.75 ALDH1A1 (0.63) KMT2APOLBCYP1A2CYP3A4CYP2C19
SCHEMBL13711683 0.75 CYP1A2 (0.44) KMT2APOLBCYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-20060041006-A1 PDE4B inhibitors and uses therefor PLEXXIKON, INC. 2006-02-23 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 (2 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-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A KMT2A 2234/4885POLB 248/4885CYP1A2 2604/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A KMT2A 2234/4885POLB 248/4885CYP1A2 2604/4885

“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.