SCHEMBL18965852

SCHEMBL18965852

Cn1c(NCc2ccc(Oc3ccc(Cl)cn3)cc2Cl)nc2ccc(NC3COC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
PPARG P37231 1/20 0.40
TP53 P04637 1/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
PKM P14618 1/20 0.35
SCN9A Q15858 2/20 0.33
P2RX3 P56373 9/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
BRAF P15056 1/20 0.32
KDR P35968 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
SCHEMBL18965926 0.93 CYP3A4 (0.41) CYP3A4PPARGTP53NPC1RAB9A
SCHEMBL17488299 0.92 CYP3A4 (0.40) CYP3A4PPARGTP53NPC1RAB9A
SCHEMBL18965797 0.92 NPC1 (0.47) CYP3A4PPARGTP53NPC1RAB9A
SCHEMBL17488173 0.90 CYP3A4 (0.48) CYP3A4PPARGNPC1RAB9AP2RX3
SCHEMBL18965850 0.88 CYP3A4 (0.41) CYP3A4PPARGNPC1RAB9ASCN9A
SCHEMBL18965948 0.86 CYP3A4 (0.40) CYP3A4PPARGNPC1RAB9AP2RX3
SCHEMBL18965860 0.86 CYP3A4 (0.44) CYP3A4PPARGNPC1RAB9AP2RX3
SCHEMBL18965614 0.86 CYP3A4 (0.42) CYP3A4PPARGNPC1RAB9AP2RX3
SCHEMBL18965857 0.82 TP53 (0.37) PPARGTP53NPC1RAB9APKM
SCHEMBL18960424 0.82 CYP3A4 (0.46) CYP3A4PPARGTP53NPC1RAB9A

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 CYP3A4 261/4885PPARG 472/4885TP53 2004/4885

“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.