SCHEMBL1483709

SCHEMBL1483709

Cc1ccc2[nH]c(-c3ccc(-n4ccnc4)nc3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
ITK Q08881 2/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.37
IDH1 O75874 1/20 0.37
CYP19A1 P11511 2/20 0.36
IDO1 P14902 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 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
SCHEMBL1484074 0.91 GAA (0.42) GAAALDH1A1HSD17B10KDM4EMAPT
SCHEMBL1422916 0.87 CYP1A1 (0.45) ALDH1A1HSD17B10MAPTKMT2APIM1
SCHEMBL13577804 0.86 PIM1 (0.40) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL1484209 0.86 CYP19A1 (0.46) ALDH1A1HSD17B10PIM1CYP19A1IDO1
SCHEMBL1422837 0.86 CDK5 (0.52) KMT2APIM1CYP19A1IDO1CDK5
SCHEMBL1424611 0.85 MAPT (0.49) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL1483693 0.83 CYP19A1 (0.58) ALDH1A1HSD17B10ITKPIM1CYP19A1
SCHEMBL13577817 0.79 PIM1 (0.40) GAAALDH1A1HSD17B10KDM4EMAPT
SCHEMBL1484245 0.79 KDM4E (0.41) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL1422658 0.79 PIM1 (0.40) ALDH1A1HSD17B10KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US claimed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
WO-2009155024-A1 NOVEL SUBSTITUTED INDOLES MERCK & CO., INC. (US) 2009-12-23 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-20110076230-A1 Novel Substituted Indoles APP, BACE1, PSEN1 GAA 1815/4885ALDH1A1 2656/4885HSD17B10 1967/4885

“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.