SCHEMBL2214575

SCHEMBL2214575

Cc1cccn2c(=O)c(C=O)c(N3CCOCC3)nc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.78
MAPT P10636 4/20 0.78
KDM4E B2RXH2 3/20 0.78
HTT P42858 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.76
MAPK1 P28482 1/20 0.75
LMNA P02545 1/20 0.72
L3MBTL1 Q9Y468 2/20 0.69
KMT2A Q03164 3/20 0.66
RXFP1 Q9HBX9 3/20 0.66
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2C19 P33261 2/20 0.66
GAA P10253 1/20 0.65
MEN1 O00255 2/20 0.62
HPGD P15428 2/20 0.60
TSHR P16473 1/20 0.59
RECQL P46063 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
POLB P06746 1/20 0.54

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
SCHEMBL29951831 0.89 ALDH1A1 (0.97) ALDH1A1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL15887231 0.88 ALDH1A1 (1.00) ALDH1A1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL15330150 0.88 ALDH1A1 (1.00) ALDH1A1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL2562201 0.87 ALDH1A1 (0.80) ALDH1A1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL29954626 0.86 MAPK1 (1.00) ALDH1A1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL15332277 0.85 ALDH1A1 (0.77) ALDH1A1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL2215671 0.82 ALDH1A1 (0.76) ALDH1A1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL2217551 0.80 SMN1; SMN2 (0.65) ALDH1A1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL2219070 0.80 SMN1; SMN2 (0.65) ALDH1A1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL2553969 0.80 L3MBTL1 (0.78) ALDH1A1MAPTKDM4EHTTSMN1; SMN2

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 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
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

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

“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.