SCHEMBL7801059

SCHEMBL7801059

COC(=O)CCc1c(Br)n(C)c2ccc(Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 2/20 0.41
TBXAS1 P24557 1/20 0.40
EGFR P00533 1/20 0.40
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL7790361 0.83 TACR1 (0.61) TACR1
SCHEMBL7797019 0.79 TACR1 (0.55) TACR1TBXAS1
SCHEMBL7797108 0.79 TACR1 (0.57) TACR1
SCHEMBL7790383 0.77 KMT2A (0.54) KDM4ETP53RXFP1
SCHEMBL7798278 0.77 TACR1 (0.61) TACR1KDM4ETBXAS1
SCHEMBL29757657 0.77 MCL1 (0.50) KDM4EMAPTEGFR
SCHEMBL7796987 0.76 TBXAS1 (0.71) TACR1TBXAS1
SCHEMBL7796991 0.76 TACR1 (0.60) TACR1TBXAS1
SCHEMBL7797116 0.75 TACR1 (0.62) TACR1MAPTTBXAS1
SCHEMBL7797113 0.75 TBXAS1 (0.52) TACR1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents DINNELL KEVIN (GB) 2001-11-08 US 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-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents IDO1, IDO2, CNR2 TACR1 1285/4885KDM4E 2526/4885MAPT 3701/4885

“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.