SCHEMBL12040614

SCHEMBL12040614

CSCCCCCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
MAOA P21397 1/20 0.50
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAOB P27338 2/20 0.48

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
SCHEMBL31500399 1.00 SIGMAR1 (0.53) SIGMAR1L3MBTL1MAOAMAPTRXFP1
SCHEMBL12040636 1.00 SIGMAR1 (0.53) SIGMAR1L3MBTL1MAOAMAPTRXFP1
SCHEMBL1145863 0.98 MAOA (0.52) SIGMAR1L3MBTL1MAOAMAOB
SCHEMBL687602 0.91 CA2 (0.53) SIGMAR1L3MBTL1MAOAMAOB
Carbamic Acid SCHEMBL5336941 0.87 NOS1 (0.50) MAOAMAPTRXFP1MAOB
SCHEMBL273440 0.84 ALDH1A1 (0.50) MAOAMAOB
SCHEMBL27865940 0.82 SIGMAR1 (0.56) SIGMAR1L3MBTL1MAOAMAPTRXFP1
SCHEMBL27865931 0.82 SIGMAR1 (0.56) SIGMAR1L3MBTL1MAOAMAPTRXFP1
SCHEMBL8082718 0.82 SIGMAR1 (0.56) SIGMAR1L3MBTL1MAOAMAPTRXFP1
SCHEMBL10963241 0.82 SIGMAR1 (0.56) SIGMAR1L3MBTL1MAOAMAPTRXFP1

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 4049/4885L3MBTL1 4172/4885MAOA 1937/4885
US-20170196854-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS MPO, DHODH, DHX35 SIGMAR1 4211/4885L3MBTL1 1785/4885MAOA 2133/4885

“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.