SCHEMBL17488162

SCHEMBL17488162

N#Cc1ccc(C2(C3CCCC3)OCCO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PGR P06401 2/20 0.35
HRH3 Q9Y5N1 2/20 0.34
EPHX1 P07099 1/20 0.34
CYP19A1 P11511 2/20 0.33
TRPA1 O75762 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL9667455 0.73 MAOA (0.41) MAOAMAOBNPC1RAB9APGR
SCHEMBL10636933 0.71 HRH3 (0.32) MAOAMAOBPGRHRH3
SCHEMBL3092427 0.69 POLB (0.42) PGR
SCHEMBL5604190 0.67 TSHR (0.46) MAOAMAOBPGR
SCHEMBL25635554 0.66 PGR (0.35) PGRCYP19A1
SCHEMBL27716965 0.66 CYP2A6 (0.34) PGRCYP19A1
SCHEMBL3627375 0.66 GSK3B (0.37) MAOAMAOBPGRCYP19A1AR
SCHEMBL13825423 0.66 CYP2A6 (0.34) PGRCYP19A1SMN1; SMN2
SCHEMBL6909657 0.63 CYP2A6 (0.43) PGR
SCHEMBL25232111 0.63 CYP19A1 (0.39) MAOAMAOBPGRCYP19A1TRPA1

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 MAOA 557/4885MAOB 551/4885NPC1 2764/4885

“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.