SCHEMBL5785176

SCHEMBL5785176

ClCCc1nccc2c1[nH]c1ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
TDO2 P48775 9/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
MAPK1 P28482 2/20 0.55
KMT2A Q03164 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ALDH1A1 P00352 2/20 0.55
GABRP O00591 1/20 0.55
GABRD O14764 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
GABRA1 P14867 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
GABRB1 P18505 1/20 0.55
GABRG2 P18507 1/20 0.55
NFKB1 P19838 1/20 0.55
MAOA P21397 1/20 0.55

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
SCHEMBL2721049 0.84 KDM4E (0.68) KDM4ETDO2MAPTMEN1MAPK1
SCHEMBL1060136 0.81 TDO2 (0.63) KDM4ETDO2MAPTMEN1MAPK1
SCHEMBL11490695 0.81 KDM4E (0.71) KDM4ETDO2MAPTMEN1MAPK1
SCHEMBL27905044 0.81 KDM4E (0.75) KDM4ETDO2MAPTMEN1MAPK1
SCHEMBL9204360 0.80 KDM4E (0.65) KDM4ETDO2MAPTMEN1MAPK1
SCHEMBL27917573 0.78 KDM4E (0.59) KDM4ETDO2MAPTMEN1MAPK1
SCHEMBL5053765 0.77 KDM4E (0.58) KDM4ETDO2MAPTMEN1MAPK1
SCHEMBL10642447 0.77 KDM4E (0.58) KDM4ETDO2MAPTMEN1MAPK1
SCHEMBL11159950 0.76 KDM4E (0.60) KDM4ETDO2MAPTMEN1MAPK1
SCHEMBL10020899 0.75 TDO2 (0.64) KDM4ETDO2MAPTMEN1MAPK1

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
EP-1332144-B1 INDOLE DERIVATIVES AS PDE5-INHIBITORS LILLY ICOS LLC (US) 2006-08-23 EP disclosed
US-6878711-B2 Indole derivatives as PDE5-inhibitors LILLY ICOS LLC (US) 2005-04-12 US disclosed
US-20030229080-A1 Indole derivatives as pde5-inhibitors LILLY ICOS LLC A DELAWARE CORPORATION 2003-12-11 US disclosed
EP-1332144-A1 INDOLE DERIVATIVES AS PDE5-INHIBITORS Lilly Icos LLC (US) 2003-08-06 EP disclosed
WO-2002036593-A1 INDOLE DERIVATIVES AS PDE5-INHIBITORS LILLY ICOS LLC (US) 2002-05-10 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-20030229080-A1 Indole derivatives as pde5-inhibitors PDE5A, PDE3A, PDE2A KDM4E 1239/4885TDO2 143/4885MAPT 1519/4885

“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.