SCHEMBL12040641

SCHEMBL12040641

CCSCCCCCCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.50
KCNH2 Q12809 2/20 0.47
CA2 P00918 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOA P21397 1/20 0.47
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL19417419 1.00 SIGMAR1 (0.50) SIGMAR1KCNH2CA2L3MBTL1MAOA
SCHEMBL23014992 1.00 SIGMAR1 (0.50) SIGMAR1KCNH2CA2L3MBTL1MAOA
SCHEMBL8082718 0.87 SIGMAR1 (0.56) SIGMAR1CA2L3MBTL1MAOAMAPT
SCHEMBL2792349 0.87 SIGMAR1 (0.56) SIGMAR1CA2L3MBTL1MAOAMAPT
SCHEMBL10963241 0.87 SIGMAR1 (0.56) SIGMAR1CA2L3MBTL1MAOAMAPT
SCHEMBL23015056 0.86 SIGMAR1 (0.51) SIGMAR1KCNH2CA2L3MBTL1MAOA
SCHEMBL775567 0.85 CYP1A2 (0.58) SIGMAR1CA2L3MBTL1MAOAMAPT
SCHEMBL28774334 0.85 CYP1A2 (0.58) KCNH2CA2MAOACHRM2HTR1A
SCHEMBL19062021 0.84 KCNH2 (0.51) SIGMAR1KCNH2CA2L3MBTL1MAOA
SCHEMBL11446289 0.82 SIGMAR1 (0.48) SIGMAR1KCNH2L3MBTL1MAOAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170196854-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS INTERVET INC. (US) 2017-07-13 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 SIGMAR1 4049/4885KCNH2 969/4885CA2 57/4885
US-20170196854-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS MPO, DHODH, DHX35 SIGMAR1 4211/4885KCNH2 1135/4885CA2 734/4885

“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.