SCHEMBL13611871

SCHEMBL13611871

CN([SiH3])CCCN(Cc1cccc(-c2ccc3[nH]c(=O)sc3c2)c1)C(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.42
▸ AOC3 Q16853 3/20 0.39
▸ LPAR1 Q92633 5/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LTB4R2 Q9NPC1 1/20 0.38
▸ MAPK10 P53779 1/20 0.37
▸ CDC42BPA Q5VT25 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ ESR1 P03372 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
SCHEMBL3691947 0.93 ROCK2 (0.45) PGRAOC3LPAR1ROCK2ROCK1
Hydrochloric Acid SCHEMBL3707748 0.92 ROCK2 (0.44) PGRAOC3LPAR1ROCK2ROCK1
SCHEMBL3705189 0.89 ROCK2 (0.46) PGRAOC3ROCK2ROCK1KMT2A
Hydrochloric Acid SCHEMBL3699928 0.88 ROCK2 (0.46) PGRAOC3ROCK2ROCK1KMT2A
SCHEMBL3700814 0.80 PGR (0.50) PGRAOC3ROCK2ROCK1MAPK10
Hydrochloric Acid SCHEMBL3696807 0.80 PGR (0.49) PGRAOC3ROCK2ROCK1MAPK10
SCHEMBL3694876 0.75 PGR (0.49) PGRAOC3KMT2APDE3BPDE3A
Hydrochloric Acid SCHEMBL3693011 0.74 PGR (0.48) PGRAOC3ROCK2ROCK1KMT2A
SCHEMBL3710446 0.70 KMT2A (0.46) AOC3ROCK2ROCK1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL3696054 0.70 KMT2A (0.46) AOC3ROCK2ROCK1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 — — US disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — 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-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C PGR 658/4885AOC3 551/4885LPAR1 190/4885

“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.

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