SCHEMBL4149779

SCHEMBL4149779

Cc1ccnc2c1ccc1c(C)c(Br)cnc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 5/20 0.64
▸ CCR8 P51685 5/20 0.64
▸ CCR5 P51681 4/20 0.64
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ PSMD14 O00487 2/20 0.43
▸ COPS5 Q92905 2/20 0.43
▸ HSP90AA1 P07900 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ HTT P42858 3/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ NOS3 P29474 2/20 0.34
▸ NOS2 P35228 2/20 0.34
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL862526 0.83 CCR1 (0.76) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL182930 0.80 CCR1 (1.00) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL29563986 0.80 CCR1 (1.00) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL13943231 0.79 CCR1 (0.65) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL23777914 0.78 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL6744043 0.78 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL31493927 0.78 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1PSMD14
Water SCHEMBL23927104 0.78 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL4890980 0.78 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL30571087 0.78 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1PSMD14

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-20090005557-A1 Electron-Conjugated Organic Silane Compound and Production Method Thereof SHARP KABUSHIKI KAISHA (JP) 2009-01-01 — — 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-20090005557-A1 Electron-Conjugated Organic Silane Compound and Production Method Thereof MLX, RNF31, RPS4X CCR1 1987/4885CCR8 2366/4885CCR5 2782/4885

“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.

Send feedback