SCHEMBL13464232

SCHEMBL13464232

Clc1ccc(OCCCCNc2c(-c3ccco3)nc3ccccn23)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.49
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 8/20 0.49
HPGD P15428 7/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 8/20 0.46
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
TRIM33 Q9UPN9 5/20 0.42
RAB9A P51151 7/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
PABPC1 P11940 1/20 0.42
NPC1 O15118 4/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL1967263 0.81 ALDH1A1 (0.42) GAAALDH1A1KDM4EHPGDHTT
SCHEMBL20889719 0.77 TRIM33 (0.66) GAAALDH1A1KDM4EHPGDHTT
SCHEMBL6644325 0.75 GAA (0.56) GAAALDH1A1KDM4EHPGDHTT
SCHEMBL20889508 0.73 NR1H4 (0.57) GAAALDH1A1KDM4EHPGDHTT
SCHEMBL20889288 0.71 NR1H4 (0.57) GAAALDH1A1KDM4EHPGDHTT
SCHEMBL20889798 0.71 NR1H4 (0.71) GAAALDH1A1KDM4EHPGDHTT
SCHEMBL20889707 0.70 TRIM33 (0.68) GAAALDH1A1KDM4EHPGDHTT
SCHEMBL13464315 0.69 TRIM33 (0.63) GAAALDH1A1KDM4EHPGDHTT
SCHEMBL20889727 0.68 GAA (0.77) GAAALDH1A1KDM4EHPGDHTT
SCHEMBL1966999 0.67 GAA (1.00) GAAALDH1A1KDM4EHPGDHTT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334675-B1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2014-03-26 EP claimed
US-8501767-B2 Imidazopyridines and imidazopyrimidines as HIV-1 reverse transcriptase inhibitors CSIR (ZA) 2013-08-06 US claimed
US-20110312957-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2011-12-22 US claimed
EP-2334675-B1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2014-03-26 EP disclosed
EP-2334675-B1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2014-03-26 EP disclosed
US-8501767-B2 Imidazopyridines and imidazopyrimidines as HIV-1 reverse transcriptase inhibitors CSIR (ZA) 2013-08-06 US disclosed
US-8501767-B2 Imidazopyridines and imidazopyrimidines as HIV-1 reverse transcriptase inhibitors CSIR (ZA) 2013-08-06 US disclosed
US-8501767-B2 Imidazopyridines and imidazopyrimidines as HIV-1 reverse transcriptase inhibitors CSIR (ZA) 2013-08-06 US disclosed
US-20110312957-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2011-12-22 US disclosed
US-20110312957-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2011-12-22 US disclosed
US-20110312957-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2011-12-22 US disclosed
WO-2010032195-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2010-03-25 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 (1 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-20110312957-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS TYMP, IMPDH1, DPYD GAA 441/4885ALDH1A1 203/4885KDM4E 1975/4885

“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.