SCHEMBL17488180

SCHEMBL17488180

NCc1ccc(COc2ccc(Cl)cn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.59
MRGPRX4 Q96LA9 1/20 0.42
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
CCR5 P51681 1/20 0.41
F10 P00742 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
APP P05067 1/20 0.39
DHFR P00374 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL366644 0.83 CCR5 (0.44) MAOBIDO1CCR5APP
SCHEMBL4288596 0.82 PLAU (0.46) LOXL2
SCHEMBL2243975 0.79 MAOB (0.45) MAOBAGXTLOXL2
SCHEMBL5652119 0.79 MAOB (0.47) MAOBIDO1AGXTAPPDHFR
SCHEMBL17488179 0.79 TDP1 (0.47) MAOBCCR5
SCHEMBL1681078 0.77 MAOB (0.56) MAOBLOXL2
SCHEMBL30356825 0.77 MAOB (0.56) MAOBLOXL2
SCHEMBL21503592 0.76 MAOB (0.59) MAOBIDO1AGXTLOXL2APP
SCHEMBL18256806 0.76 LMNA (0.42) MAOBIDO1AGXTAPP
SCHEMBL26581170 0.76 IDO1 (0.46) MAOBIDO1LOXL2

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-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
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 MAOB 551/4885MRGPRX4 989/4885IDO1 1280/4885

“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.