SCHEMBL16995705

SCHEMBL16995705

COc1ccc(Cl)cc1CNc1nn[nH]n1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
POLB P06746 2/20 0.52
HSD17B2 P37059 1/20 0.47
STAT3 P40763 1/20 0.45
CMA1 P23946 1/20 0.44
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE5A O76074 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PANK3 Q9H999 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
SCHEMBL16995704 0.87 POLB (0.57) ALDH1A1POLBHSD17B2STAT3HTT
SCHEMBL16995676 0.81 HTT (0.57) ALDH1A1POLBHSD17B2STAT3SMN1; SMN2
SCHEMBL3127744 0.73 SLC6A4 (0.68)
SCHEMBL16995708 0.72 MAPT (0.41) ALDH1A1POLBHPGDSMN1; SMN2L3MBTL1
SCHEMBL16995709 0.70 L3MBTL1 (0.59) ALDH1A1POLBSTAT3HPGDSMN1; SMN2
SCHEMBL26697731 0.69 MEN1 (0.50) ALDH1A1POLBSTAT3HTTL3MBTL1
SCHEMBL21345583 0.69 LMNA (0.47) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL12370675 0.69 IDO1 (0.50) ALDH1A1POLBHPGDSMN1; SMN2HTT
SCHEMBL1177958 0.68 ATM (0.54) ALDH1A1POLBSMN1; SMN2L3MBTL1KDM4E
SCHEMBL12971608 0.68 HCAR3 (0.52) HPGDSMN1; SMN2HTTMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170001968-A1 AMINOTRIAZOLE- AND AMINOTETRAZOLE-BASED KDM1A INHIBITORS AS EPIGENETIC MODULATORS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-01-05 US disclosed
US-20170001968-A1 AMINOTRIAZOLE- AND AMINOTETRAZOLE-BASED KDM1A INHIBITORS AS EPIGENETIC MODULATORS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-01-05 US disclosed
WO-2015120281-A1 AMINOTRIAZOLE- AND AMINOTETRAZOLE-BASED KDM1A INHIBITORS AS EPIGENETIC MODULATORS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2015-08-13 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-20170001968-A1 AMINOTRIAZOLE- AND AMINOTETRAZOLE-BASED KDM1A INHIBITORS AS EPIGENETIC MODULATORS KDM1A, KDM1B, KDM3A ALDH1A1 198/4885POLB 1350/4885HSD17B2 641/4885

“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.