SCHEMBL12043264

SCHEMBL12043264

O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)NC1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.50
▸ CACNA1G O43497 6/20 0.48
▸ KMT2A Q03164 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ DRD2 P14416 5/20 0.43
▸ DRD3 P35462 4/20 0.43
▸ DRD4 P21917 4/20 0.43
▸ HTR1A P08908 2/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ HRH1 P35367 2/20 0.43
▸ TMEM97 Q5BJF2 3/20 0.41
▸ SERPINE1 P05121 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ HTR6 P50406 1/20 0.41

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
SCHEMBL12043238 0.95 SIRT6 (0.52) SIRT6CACNA1GKMT2ALMNATP53
SCHEMBL12043249 0.94 MAPT (0.49) SIRT6CACNA1GTP53MAPTDRD2
SCHEMBL9984436 0.92 SIRT6 (0.51) SIRT6DRD2DRD3DRD4HTR1A
SCHEMBL12043268 0.92 SIRT6 (0.51) SIRT6CACNA1GDRD2DRD3HTR1A
SCHEMBL12043295 0.92 SIRT6 (0.52) SIRT6CACNA1GLMNAMAPTDRD2
SCHEMBL12043269 0.90 SIRT6 (0.47) SIRT6CACNA1GDRD2DRD3DRD4
SCHEMBL12059676 0.90 SIRT6 (0.51) SIRT6LMNAMAPTDRD2DRD4
SCHEMBL12059471 0.90 SIRT6 (0.50) SIRT6CACNA1GKMT2ALMNAMAPT
SCHEMBL12043236 0.88 SIRT6 (0.50) SIRT6CACNA1GLMNATP53MAPT
SCHEMBL12059834 0.87 SIRT6 (0.53) SIRT6KMT2AMAPTDRD2DRD3

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 SIRT6 1314/4885CACNA1G 973/4885KMT2A 1866/4885

“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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