SCHEMBL17487302

SCHEMBL17487302

ClNCC(Oc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.61
HTR1A P08908 2/20 0.47
SLC6A9 P48067 1/20 0.46
SCN4A P35499 2/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
NOS2 P35228 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
SCHEMBL11750036 0.79 SLC6A4 (0.60) SLC6A4HTR1ASLC6A9SCN4ACHRNB2
SCHEMBL18960366 0.79 NOS2 (0.62) SLC6A4HTR1ASLC6A9SCN4ACHRNB2
SCHEMBL7049684 0.77 SLC6A4 (0.66) SLC6A4HTR1ASLC6A9SCN4ACHRNB2
SCHEMBL7051333 0.76 SLC6A4 (1.00) SLC6A4NOS2
SCHEMBL11750939 0.75 SLC6A4 (0.56) SLC6A4HTR1ASLC6A9SCN4APPARG
SCHEMBL11750508 0.75 SLC6A4 (0.56) SLC6A4HTR1ASLC6A9SCN4ACHRNB2
SCHEMBL18960367 0.74 SLC6A4 (0.51) SLC6A4HTR1ASLC6A9PPARGPPARA
SCHEMBL17278127 0.73 SLC7A5 (0.68) SLC6A4HTR1ASLC6A9NOS2
SCHEMBL11360054 0.73 SLC6A4 (0.57) SLC6A4SLC6A9SCN4ACHRNB2CHRNA4
SCHEMBL10913184 0.73 SLC6A4 (0.68) SLC6A4SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 SLC6A4 2954/4885HTR1A 407/4885SLC6A9 4324/4885

“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.