SCHEMBL2118022

SCHEMBL2118022

N#Cc1ccc(N2CCN(C(=O)CCl)CC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 6/20 0.46
AOC3 Q16853 2/20 0.45
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
TACR3 P29371 2/20 0.42
MAPT P10636 1/20 0.42
AKR1C3 P42330 2/20 0.42
AR P10275 1/20 0.42
TP53 P04637 1/20 0.42
GRIN2B Q13224 1/20 0.41
ENPP2 Q13822 1/20 0.40
YAP1 P46937 1/20 0.40
TEAD4 Q15561 1/20 0.40
TEAD2 Q15562 1/20 0.40

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
SCHEMBL2894290 0.83 AOC3 (0.45) PANK3AOC3TACR3MAPTAKR1C3
SCHEMBL22919226 0.82 CASP6 (0.51) AOC3MAPTENPP2
SCHEMBL29405237 0.82 CASP6 (0.51) AOC3MAPTENPP2
SCHEMBL13012631 0.80 CKS1B (0.47) AOC3CKS1BSKP1SKP2MAPT
SCHEMBL945227 0.79 DPP4 (0.53) PANK3MAPTAKR1C3TP53
SCHEMBL13011916 0.78 MAPT (0.43) PANK3AOC3TACR3MAPTTP53
SCHEMBL2123349 0.76 CYP3A4 (0.53) CKS1BSKP1SKP2MAPTYAP1
SCHEMBL2121523 0.76 MLLT1 (0.51) CKS1BSKP1SKP2MAPTENPP2
SCHEMBL1432924 0.76 GPR119 (0.57) CKS1BSKP1SKP2MAPT
SCHEMBL30893576 0.76 GPR119 (0.57) CKS1BSKP1SKP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 US disclosed
US-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 US disclosed
US-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 US disclosed
EP-2443091-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2013-04-03 EP disclosed
EP-2443091-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2013-04-03 EP disclosed
EP-2443091-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-04-25 EP disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 US disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 US disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 US disclosed
WO-2010146083-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-12-23 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-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE ABCB11, ACHE, CMA1 PANK3 1957/4885AOC3 764/4885CKS1B 4493/4885

“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.