SCHEMBL2219259

SCHEMBL2219259

O=c1c(/C=N/c2cccc(Cl)c2)c(Nc2cccc(Cl)c2)nc2ccccn12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
NPSR1 Q6W5P4 3/20 0.60
HPGD P15428 3/20 0.60
ALOX15 P16050 1/20 0.60
NPC1 O15118 1/20 0.53
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 6/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
POLB P06746 2/20 0.45
HCRTR1 O43613 1/20 0.44
CDK2 P24941 2/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GRM5 P41594 1/20 0.41
GAA P10253 2/20 0.38

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
SCHEMBL2219266 1.00 ALDH1A1 (0.60) ALDH1A1NPSR1HPGDALOX15NPC1
SCHEMBL15693733 0.91 ALDH1A1 (0.52) ALDH1A1NPSR1HPGDALOX15NPC1
SCHEMBL2228146 0.85 ALDH1A1 (0.78) ALDH1A1NPSR1HPGDALOX15NPC1
SCHEMBL12517349 0.85 ALDH1A1 (0.78) ALDH1A1NPSR1HPGDALOX15NPC1
SCHEMBL2217139 0.82 ALDH1A1 (0.55) ALDH1A1NPSR1HPGDALOX15NPC1
SCHEMBL2217143 0.82 ALDH1A1 (0.55) ALDH1A1NPSR1HPGDALOX15NPC1
SCHEMBL2227565 0.77 ALDH1A1 (0.65) ALDH1A1NPSR1HPGDALOX15NPC1
SCHEMBL2218427 0.75 MEN1 (0.53) ALDH1A1NPSR1HPGDALOX15NPC1
SCHEMBL2229941 0.74 ALDH1A1 (0.61) ALDH1A1NPSR1HPGDALOX15NPC1
SCHEMBL12517352 0.74 ALDH1A1 (0.61) ALDH1A1NPSR1HPGDALOX15NPC1

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
EP-2310388-B1 PYRIDOPYRIMIDINE COMPOUNDS AS ANTI-TUBERCULAR AGENTS PASTEUR INSTITUT KOREA (KR) 2015-08-05 EP disclosed
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-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 ALDH1A1 3932/4885NPSR1 4172/4885HPGD 1413/4885
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES TYMS, TYMP, DCTPP1 ALDH1A1 2522/4885NPSR1 3987/4885HPGD 737/4885

“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.