SCHEMBL17488301

SCHEMBL17488301

CCC(Nc1nc2ccc(NC3COC3)cc2n1C)c1ccc(Oc2ccc(Cl)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
PPARG P37231 1/20 0.38
ATP1A1 P05023 1/20 0.36
ATP1B1 P05026 1/20 0.36
ATP1A3 P13637 1/20 0.36
ATP1B2 P14415 1/20 0.36
ATP1A2 P50993 1/20 0.36
ATP1B3 P54709 1/20 0.36
FXYD2 P54710 1/20 0.36
ATP1A4 Q13733 1/20 0.36
SCN9A Q15858 1/20 0.36
P2RX3 P56373 14/20 0.34
HRH3 Q9Y5N1 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL18965789 0.91 ATP1A1 (0.35) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL18965941 0.90 CYP3A4 (0.39) CYP3A4PPARGATP1A1ATP1B1ATP1A3
SCHEMBL18965935 0.89 SCN9A (0.44) SCN9AMCHR1
SCHEMBL17488173 0.84 CYP3A4 (0.48) CYP3A4PPARGP2RX3
SCHEMBL18960419 0.83 CYP3A4 (0.43) CYP3A4PPARGATP1A1ATP1B1ATP1A3
SCHEMBL17488255 0.82 MCHR1 (0.42) SCN9AMCHR1
SCHEMBL18965850 0.81 CYP3A4 (0.41) CYP3A4PPARGSCN9AP2RX3MCHR1
SCHEMBL18965860 0.81 CYP3A4 (0.44) CYP3A4PPARGP2RX3
SCHEMBL18965852 0.80 CYP3A4 (0.41) CYP3A4PPARGSCN9AP2RX3HRH3
SCHEMBL17487963 0.80 CYP3A4 (0.41) CYP3A4P2RX3HRH3

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 CYP3A4 261/4885PPARG 472/4885ATP1A1 2225/4885

“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.