SCHEMBL2216697

SCHEMBL2216697

CCN(CC)c1nc2c(C)cccn2c(=O)c1CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
MAPT P10636 6/20 0.56
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 6/20 0.48
HSD17B10 Q99714 4/20 0.48
HPGD P15428 4/20 0.48
CASP1 P29466 3/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 3/20 0.45
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 2/20 0.43
PABPC1 P11940 1/20 0.43
RXFP1 Q9HBX9 2/20 0.42
POLB P06746 2/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL1580882 0.81 ALDH1A1 (0.58) KDM4EMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL2219078 0.80 ALDH1A1 (0.69) KDM4EMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL15887151 0.78 ALDH1A1 (0.43) KDM4EMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL2217159 0.78 RXFP1 (0.48) KDM4EMAPTALDH1A1GAAHSD17B10
SCHEMBL2215382 0.76 KDM4E (0.41) KDM4EMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL11364090 0.74 SMN1; SMN2 (0.52) KDM4EMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL15887235 0.72 ALDH1A1 (0.65) KDM4EMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL2150350 0.72 NPC1 (0.65) KDM4EMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL2217802 0.72 ALDH1A1 (0.47) KDM4EMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL21352392 0.71 ALDH1A1 (0.57) KDM4EMAPTALDH1A1SMN1; SMN2GAA

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 4439/4885MAPT 2660/4885ALDH1A1 3932/4885
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES TYMS, TYMP, DCTPP1 KDM4E 4036/4885MAPT 2115/4885ALDH1A1 2522/4885

“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.