SCHEMBL2219841

SCHEMBL2219841

Cc1cccn2c(=O)c(C(=O)O)c(NCC3CCCCC3)nc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
PPARG P37231 1/20 0.46
THRB P10828 1/20 0.46
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HTT P42858 1/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
MDM2 Q00987 1/20 0.42
NPC1 O15118 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
SCHEMBL2217161 0.84 KMT2A (0.44) KMT2ATHRBKDM4EALDH1A1MAPT
SCHEMBL1582898 0.84 KMT2A (0.52) KMT2ATHRBKDM4EALDH1A1TDP1
SCHEMBL2149875 0.84 KMT2A (0.52) KMT2ATHRBKDM4EALDH1A1TDP1
SCHEMBL15887216 0.83 ALDH1A1 (0.43) KMT2AKDM4EALDH1A1MAPTHPGD
SCHEMBL2217753 0.83 KMT2A (0.51) KMT2ATHRBKDM4EALDH1A1TDP1
SCHEMBL2218797 0.82 ALDH1A1 (0.64) KMT2AKDM4EALDH1A1MAPTHPGD
SCHEMBL2219708 0.79 TP53 (0.52) KMT2ATHRBKDM4EALDH1A1MAPT
SCHEMBL12462098 0.76 HSD17B10 (0.44) KMT2ATHRBKDM4EALDH1A1TDP1
SCHEMBL2218413 0.75 NPC1 (0.67) KMT2AKDM4EALDH1A1TDP1MAPT
SCHEMBL15887225 0.75 KMT2A (0.52) KMT2ATHRBKDM4EALDH1A1TDP1

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 KMT2A 4781/4885PPARG 348/4885THRB 2747/4885
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES TYMS, TYMP, DCTPP1 KMT2A 4390/4885PPARG 570/4885THRB 2330/4885

“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.