SCHEMBL12295648

SCHEMBL12295648

COc1cccn2c(C(=O)NCc3ccccc3)c(C)nc12

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
LMNA P02545 1/20 0.60
PKM P14618 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TP53 P04637 1/20 0.53
GLA P06280 1/20 0.53
HPGD P15428 1/20 0.53
GUCY1B2 O75343 8/20 0.51
GUCY1A2 P33402 8/20 0.51
GUCY1A1 Q02108 8/20 0.51
GUCY1B1 Q02153 8/20 0.51
POLB P06746 2/20 0.50
ATP4A P20648 1/20 0.48
ATP4B P51164 1/20 0.48
KMT2A Q03164 1/20 0.47

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
SCHEMBL15631330 0.89 GUCY1B2 (0.56) KDM4ELMNAPKMHTTSMN1; SMN2
SCHEMBL12294580 0.86 ALDH1A1 (0.60) KDM4ELMNAPKMHTTSMN1; SMN2
SCHEMBL12294855 0.85 KDM4E (0.55) KDM4ELMNAPKMHTTSMN1; SMN2
SCHEMBL12295298 0.84 LMNA (0.54) KDM4ELMNAPKMHTTSMN1; SMN2
SCHEMBL2420946 0.84 KDM4E (0.54) KDM4ELMNAPKMHTTSMN1; SMN2
SCHEMBL15631273 0.82 GUCY1B2 (0.60) KDM4ELMNAPKMHTTSMN1; SMN2
SCHEMBL12294849 0.82 KDM4E (0.52) KDM4ELMNAPKMHTTSMN1; SMN2
SCHEMBL15631323 0.81 GUCY1B2 (0.57) KDM4ELMNAPKMHTTSMN1; SMN2
SCHEMBL15631331 0.81 GUCY1B2 (0.53) KDM4ELMNAPKMHTTSMN1; SMN2
SCHEMBL2425372 0.81 HTT (0.51) KDM4ELMNAPKMHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 US claimed
EP-2547678-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2016-03-16 EP disclosed
EP-2547678-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2016-03-16 EP disclosed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 US disclosed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 US disclosed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 US disclosed
WO-2011113606-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2011-09-22 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-20130065884-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 KDM4E 4439/4885LMNA 4132/4885PKM 4244/4885

“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.