SCHEMBL18960366

SCHEMBL18960366

NCC(Oc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.62
CHRNB2 P17787 2/20 0.61
CHRNA4 P43681 2/20 0.61
SLC6A4 P31645 3/20 0.60
SCN4A P35499 2/20 0.51
SLC6A2 P23975 2/20 0.49
SLC6A3 Q01959 2/20 0.49
KCNK2 O95069 1/20 0.49
KCNH2 Q12809 1/20 0.49
CACNA1C Q13936 1/20 0.49
SLC6A9 P48067 1/20 0.48
HTR1A P08908 1/20 0.46
IDO1 P14902 2/20 0.46
TDO2 P48775 2/20 0.46
SLC7A5 Q01650 6/20 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
SCHEMBL3524687 0.91 NOS2 (0.50) NOS2CHRNB2CHRNA4SLC6A4SCN4A
Hydrochloric Acid SCHEMBL3521179 0.89 NOS2 (0.49) NOS2CHRNB2CHRNA4SLC6A4SCN4A
SCHEMBL3034916 0.87 SLC6A4 (0.55) NOS2CHRNB2CHRNA4SLC6A4SCN4A
SCHEMBL7049684 0.86 SLC6A4 (0.66) NOS2CHRNB2CHRNA4SLC6A4SCN4A
Hydrogen Sulfide SCHEMBL27817937 0.85 SLC6A4 (0.53) NOS2CHRNB2CHRNA4SLC6A4SLC6A2
SCHEMBL17278127 0.82 SLC7A5 (0.68) NOS2SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL11750036 0.82 SLC6A4 (0.60) CHRNB2CHRNA4SLC6A4SCN4ASLC6A9
SCHEMBL350781 0.82 SLC6A4 (0.60) NOS2SLC6A4SLC6A2SLC6A3KCNK2
Oxalic Acid SCHEMBL7318674 0.80 SLC6A4 (0.61) NOS2SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL17487302 0.79 SLC6A4 (0.61) NOS2CHRNB2CHRNA4SLC6A4SCN4A

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 1 patent. 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

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 NOS2 153/4885CHRNB2 665/4885CHRNA4 469/4885

“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.