SCHEMBL1484070

SCHEMBL1484070

Fc1ccc2[nH]c(-c3ccc(-n4cncn4)nc3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
IDO1 P14902 8/20 0.44
TDO2 P48775 3/20 0.40
PIM1 P11309 1/20 0.40
TRPA1 O75762 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.38
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
RET P07949 1/20 0.37
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CYP19A1 P11511 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
SCHEMBL1484245 0.87 KDM4E (0.41) CYP1A1KDM4EALDH1A1IDO1PIM1
SCHEMBL1484034 0.87 IDO1 (0.48) KDM4EALDH1A1IDO1TDO2PIM1
SCHEMBL1484601 0.84 MAPT (0.49) KDM4EALDH1A1IDO1PIM1MAPT
SCHEMBL1425121 0.83 MAPT (0.37) KDM4EALDH1A1IDO1PIM1MAPT
SCHEMBL1483994 0.82 CYP1A2 (0.37) KDM4EALDH1A1IDO1PIM1MAPT
SCHEMBL1424267 0.80 PIM1 (0.39) KDM4EALDH1A1IDO1PIM1MAPT
SCHEMBL1483695 0.80 KDM4E (0.40) KDM4EALDH1A1PIM1MAPTRET
SCHEMBL1422916 0.79 CYP1A1 (0.45) CYP1A1ALDH1A1IDO1TDO2PIM1
SCHEMBL1422576 0.77 MAPT (0.41) KDM4EALDH1A1IDO1PIM1MAPT
SCHEMBL1425629 0.77 CDK5 (0.46) IDO1PIM1RETCDK5CDK5R1

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 CYP1A1 1246/4885KDM4E 1666/4885ALDH1A1 2656/4885

“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.