SCHEMBL2217810

SCHEMBL2217810

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
MAPT P10636 2/20 0.62
RECQL P46063 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ALDH1A1 P00352 4/20 0.56
GAA P10253 3/20 0.56
HPGD P15428 3/20 0.56
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 4/20 0.47
CASP1 P29466 2/20 0.47
PABPC1 P11940 1/20 0.47
HTT P42858 1/20 0.47
THRB P10828 1/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 2/20 0.44

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
SCHEMBL15887186 0.88 KDM4E (0.62) KDM4EMAPTRECQLNPSR1ALDH1A1
SCHEMBL2216295 0.85 MAPT (0.58) KDM4EMAPTRECQLNPSR1ALDH1A1
SCHEMBL876284 0.79 KDM4E (0.65) KDM4EMAPTRECQLNPSR1ALDH1A1
SCHEMBL2218413 0.79 NPC1 (0.67) KDM4EMAPTNPSR1ALDH1A1GAA
SCHEMBL1580882 0.79 ALDH1A1 (0.58) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL15887176 0.78 ALDH1A1 (0.65) KDM4EMAPTNPSR1ALDH1A1GAA
SCHEMBL2220913 0.78 ALDH1A1 (0.53) KDM4EMAPTNPSR1ALDH1A1HPGD
SCHEMBL2217805 0.78 NPC1 (0.53) KDM4EMAPTRECQLNPSR1ALDH1A1
SCHEMBL16966396 0.78 ALDH1A1 (0.44) KDM4EMAPTRECQLNPSR1ALDH1A1
SCHEMBL1580988 0.77 MAPT (1.00) KDM4EMAPTRECQLNPSR1ALDH1A1

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 14 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
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 4439/4885MAPT 2660/4885RECQL 1917/4885
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES TYMS, TYMP, DCTPP1 KDM4E 4036/4885MAPT 2115/4885RECQL 377/4885

“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.