SCHEMBL2220913

SCHEMBL2220913

Cc1cccn2c(=O)c(C(=O)O)c(N3CCN(c4ccccc4Cl)CC3)nc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPT P10636 3/20 0.53
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
KMT2A Q03164 5/20 0.48
RXFP1 Q9HBX9 2/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 3/20 0.45
HSD17B10 Q99714 1/20 0.45
NPSR1 Q6W5P4 1/20 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
SCHEMBL15887176 0.84 ALDH1A1 (0.65) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL2219070 0.82 SMN1; SMN2 (0.65) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL2215671 0.82 ALDH1A1 (0.76) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL2218350 0.79 HSD17B10 (0.53) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL2217810 0.78 KDM4E (0.62) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL16966396 0.70 ALDH1A1 (0.44) ALDH1A1MAPTRXFP1HPGDKDM4E
SCHEMBL15887186 0.70 KDM4E (0.62) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL2218413 0.69 NPC1 (0.67) ALDH1A1MAPTKMT2AHPGDKDM4E
SCHEMBL2216295 0.67 MAPT (0.58) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL1580882 0.67 ALDH1A1 (0.58) ALDH1A1MAPTKMT2ARXFP1HPGD

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 13 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
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 ALDH1A1 3932/4885MAPT 2660/4885CYP1A2 3954/4885
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES TYMS, TYMP, DCTPP1 ALDH1A1 2522/4885MAPT 2115/4885CYP1A2 1818/4885

“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.