SCHEMBL6405987

SCHEMBL6405987

O=C(NC(CO)Cc1ccc(Cl)cc1)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.53
KCNH2 Q12809 1/20 0.53
ROCK2 O75116 1/20 0.49
PRKACA P17612 1/20 0.49
RPS6KB1 P23443 1/20 0.49
IRAK1 P51617 1/20 0.49
PRKX P51817 1/20 0.49
LIMK1 P53667 1/20 0.49
PRKG2 Q13237 1/20 0.49
ROCK1 Q13464 1/20 0.49
PRKG1 Q13976 1/20 0.49
PKN2 Q16513 1/20 0.49
HIPK4 Q8NE63 1/20 0.49
AURKB Q96GD4 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
CSNK1G1 Q9HCP0 1/20 0.49
HDAC4 P56524 1/20 0.49
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL6405064 0.95 AVPR1A (0.49) AVPR1AKCNH2ROCK2PRKACARPS6KB1
SCHEMBL4963772 0.95 TRPA1 (0.53) AVPR1AKCNH2ROCK2PRKACARPS6KB1
SCHEMBL6405946 0.84 AVPR1A (0.48) AVPR1AKCNH2HDAC4ALDH1A1SMN1; SMN2
SCHEMBL6406749 0.84 AVPR1A (0.48) AVPR1AKCNH2HDAC4ALDH1A1SMN1; SMN2
SCHEMBL5049115 0.82 AVPR1A (0.57) AVPR1AKCNH2HDAC4ALDH1A1SMN1; SMN2
SCHEMBL6406056 0.81 HDAC4 (0.47) AVPR1AKCNH2HDAC4ALDH1A1SMN1; SMN2
SCHEMBL6405767 0.80 TRPA1 (0.49) AVPR1AKCNH2ALDH1A1SMN1; SMN2OXTR
SCHEMBL6407406 0.80 CYP3A4 (0.47) AVPR1AKCNH2HDAC4ALDH1A1SMN1; SMN2
SCHEMBL6407775 0.79 DRD4 (0.52) HDAC4LMNA
SCHEMBL4966313 0.78 HDAC4 (0.49) AVPR1AKCNH2HDAC4ALDH1A1SMN1; SMN2

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-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 US claimed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 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-20050288338-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 AVPR1A 57/4885KCNH2 2120/4885ROCK2 2066/4885

“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.