SCHEMBL1970575

SCHEMBL1970575

Clc1ccccc1-c1nc2cccc(Oc3ccccc3)n2c1NC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.45
BACE1 P56817 3/20 0.43
ADORA1 P30542 2/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GFER P55789 1/20 0.38
CNR1 P21554 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR2 P34972 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL1966485 0.85 BACE1 (0.47) ALOX5BACE1ADORA1ALDH1A1GAA
SCHEMBL1965238 0.84 ALOX5 (0.45) ALOX5BACE1ADORA1ALDH1A1GAA
SCHEMBL1967772 0.82 ALOX5 (0.43) ALOX5BACE1ADORA1ALDH1A1GAA
SCHEMBL13464262 0.82 ALOX5 (0.43) ALOX5BACE1ADORA1ALDH1A1GAA
SCHEMBL1967088 0.82 BACE1 (0.55) ALOX5BACE1ADORA1ALDH1A1GAA
SCHEMBL1964933 0.82 ALOX5 (0.43) ALOX5BACE1ADORA1ALDH1A1GAA
SCHEMBL1970576 0.81 GAA (0.47) ALDH1A1GAAKDM4ECNR1MAPT
SCHEMBL1970632 0.81 BACE1 (0.54) ALOX5BACE1ADORA1ALDH1A1GAA
SCHEMBL13031472 0.79 ALOX5 (0.41) ALOX5BACE1ADORA1ALDH1A1GAA
SCHEMBL13031459 0.79 BACE1 (0.45) ALOX5BACE1ADORA1ALDH1A1GAA

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
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
EP-2334675-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2011-06-22 EP 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 ALOX5 3673/4885BACE1 2906/4885ADORA1 1122/4885

“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.