SCHEMBL17488160

SCHEMBL17488160

NCCc1ccc(Oc2ccc(Cl)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.55
TAAR1 Q96RJ0 2/20 0.52
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LIPE Q05469 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
POLB P06746 2/20 0.41
RAB9A P51151 1/20 0.41
LTA4H P09960 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
SCHEMBL15685061 0.91 MAOB (0.55) MAOBTAAR1KDM4EMEN1KMT2A
SCHEMBL13181088 0.84 ALDH1A1 (0.52) CYP3A4KDM4ELIPEOPRM1OPRD1
SCHEMBL3100106 0.82 LIPE (0.46) CYP3A4KDM4EMEN1KMT2ALIPE
SCHEMBL6839894 0.82 CYP3A4 (0.44) CYP3A4LIPEOPRM1OPRD1OPRK1
SCHEMBL5370044 0.82 KDM4E (0.59) MAOBCYP3A4KDM4EMEN1KMT2A
SCHEMBL9889562 0.81 TAAR1 (0.52) MAOBTAAR1KDM4EMEN1KMT2A
SCHEMBL9045204 0.81 MAOB (0.53) MAOBKDM4EMEN1KMT2APOLB
SCHEMBL8016838 0.81 LIPE (0.45) CYP3A4KDM4EMEN1KMT2ALIPE
SCHEMBL8009375 0.81 LIPE (0.48) CYP3A4LIPEOPRM1OPRD1OPRK1
SCHEMBL15014092 0.81 SMN1; SMN2 (0.50) CYP3A4KDM4ELIPERAB9A

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 551/4885TAAR1 650/4885CYP3A4 261/4885

“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.