SCHEMBL1484069

SCHEMBL1484069

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.57
MAPT P10636 2/20 0.48
TRPA1 O75762 2/20 0.43
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PDPK1 O15530 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DAO P14920 1/20 0.41
ITK Q08881 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
SCHEMBL1422556 0.86 MAPT (0.50) CYP1A1MAPTCDK5CDK5R1KDM4E
SCHEMBL1484054 0.86 CDK5 (0.59) CYP1A1CDK5CDK5R1IDO1
SCHEMBL13577818 0.86 CYP1A1 (0.50) CYP1A1MAPTCDK5CDK5R1KDM4E
SCHEMBL1484234 0.86 CYP19A1 (0.56) CYP1A1MAPTCDK5CDK5R1ASIC3
SCHEMBL12756739 0.84 CYP19A1 (0.58) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL1422905 0.83 KDM4E (0.59) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL1484040 0.83 CYP19A1 (0.62) CYP1A1CDK5CDK5R1ITKCYP19A1
SCHEMBL30869753 0.83 CYP1A1 (0.68) CYP1A1MAPTKDM4EPDPK1ALDH1A1
SCHEMBL1421592 0.81 TDO2 (0.53) CYP1A1MAPTTRPA1ITKSYK
SCHEMBL3307633 0.79 CYP1A1 (0.52) CYP1A1MAPTATP4AATP4BKDM4E

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 1246/4885MAPT 8/4885TRPA1 2382/4885

“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.