SCHEMBL12043249

SCHEMBL12043249

O=C(CCCN1CCN(c2cccc(Cl)c2)CC1)NC1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CACNA1G O43497 5/20 0.49
▸ SIRT6 Q8N6T7 1/20 0.48
▸ DRD2 P14416 4/20 0.46
▸ DRD3 P35462 2/20 0.46
▸ HTR1A P08908 3/20 0.44
▸ HTR7 P34969 3/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ TMEM97 Q5BJF2 2/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ CHRM4 P08173 1/20 0.42

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
SCHEMBL12043236 0.95 SIRT6 (0.50) MAPTTP53CACNA1GSIRT6DRD2
SCHEMBL12043264 0.94 SIRT6 (0.50) MAPTTP53CACNA1GSIRT6DRD2
SCHEMBL12043268 0.93 SIRT6 (0.51) CACNA1GSIRT6DRD2DRD3HTR1A
SCHEMBL12043269 0.91 SIRT6 (0.47) CACNA1GSIRT6DRD2DRD3HTR1A
SCHEMBL9984436 0.89 SIRT6 (0.51) SIRT6DRD2DRD3HTR1AHTR7
SCHEMBL12043295 0.89 SIRT6 (0.52) MAPTCACNA1GSIRT6DRD2DRD3
SCHEMBL12043238 0.88 SIRT6 (0.52) MAPTTP53CACNA1GSIRT6DRD2
SCHEMBL12043237 0.88 SIRT6 (0.53) MAPTSIRT6DRD2DRD3HTR1A
SCHEMBL12059676 0.87 SIRT6 (0.51) MAPTSIRT6DRD2HTR1AHTR7
SCHEMBL12059471 0.86 SIRT6 (0.50) MAPTCACNA1GSIRT6DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 — — US disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 — — US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 — — US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 — — US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 — — 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO MAPT 1648/4885TP53 4065/4885CACNA1G 973/4885

“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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