SCHEMBL2219081

SCHEMBL2219081

Cc1cccn2c(=O)c(C(=O)O)c(NCc3cccc(Cl)c3)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
ALDH1A1 P00352 8/20 0.55
MAPT P10636 4/20 0.55
HTT P42858 1/20 0.55
HSD17B10 Q99714 4/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HPGD P15428 4/20 0.46
TSHR P16473 3/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
GLA P06280 1/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 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
SCHEMBL2217775 0.90 KDM4E (0.55) KDM4EALDH1A1MAPTHTTHSD17B10
SCHEMBL15887223 0.90 KDM4E (0.57) KDM4EALDH1A1MAPTHTTHSD17B10
SCHEMBL2216487 0.85 KDM4E (0.56) KDM4EALDH1A1MAPTHTTHSD17B10
SCHEMBL1580344 0.83 KDM4E (0.77) KDM4EALDH1A1MAPTHTTHSD17B10
SCHEMBL2217805 0.82 NPC1 (0.53) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL15887200 0.80 KDM4E (0.55) KDM4EALDH1A1MAPTHTTHSD17B10
SCHEMBL2219708 0.78 TP53 (0.52) KDM4EALDH1A1MAPTHTTHSD17B10
SCHEMBL2217810 0.75 KDM4E (0.62) KDM4EALDH1A1MAPTHTTHSD17B10
SCHEMBL15887234 0.75 KDM4E (0.56) KDM4EALDH1A1MAPTHTTHSD17B10
SCHEMBL2218413 0.74 NPC1 (0.67) KDM4EALDH1A1MAPTHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US claimed
EP-2310388-B1 PYRIDOPYRIMIDINE COMPOUNDS AS ANTI-TUBERCULAR AGENTS PASTEUR INSTITUT KOREA (KR) 2015-08-05 EP disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES NO ZAESUNG (KR) 2013-01-10 US disclosed
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES NO ZAESUNG (KR) 2013-01-10 US disclosed
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES NO ZAESUNG (KR) 2013-01-10 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
WO-2011085990-A1 ANTI - INFECTIVE PYRIDO (1,2 -A) PYRIMIDINES INSTITUT PASTEUR KOREA (KR) 2011-07-21 WO disclosed
WO-2010003533-A2 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-01-14 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 (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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 KDM4E 4439/4885ALDH1A1 3932/4885MAPT 2660/4885
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES TYMS, TYMP, DCTPP1 KDM4E 4036/4885ALDH1A1 2522/4885MAPT 2115/4885

“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.