SCHEMBL18965797

SCHEMBL18965797

COc1cc(Oc2ccc(Cl)cn2)ccc1CNc1nc2ccc(NC3COC3)cc2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PKM P14618 2/20 0.47
CYP3A4 P08684 2/20 0.40
LMNA P02545 3/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARG P37231 1/20 0.39
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
GAA P10253 4/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
DHFR P00374 1/20 0.34
P2RX3 P56373 2/20 0.34
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 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
SCHEMBL18965852 0.92 CYP3A4 (0.41) NPC1RAB9APKMCYP3A4PPARG
SCHEMBL18965926 0.91 CYP3A4 (0.41) NPC1RAB9APKMCYP3A4PPARG
SCHEMBL17488299 0.90 CYP3A4 (0.40) NPC1RAB9APKMCYP3A4PPARG
SCHEMBL17488173 0.87 CYP3A4 (0.48) NPC1RAB9ACYP3A4PPARGP2RX3
SCHEMBL18965850 0.86 CYP3A4 (0.41) NPC1RAB9ACYP3A4PPARGP2RX3
SCHEMBL18965948 0.84 CYP3A4 (0.40) NPC1RAB9ACYP3A4PPARGP2RX3
SCHEMBL18965860 0.84 CYP3A4 (0.44) NPC1RAB9ACYP3A4PPARGP2RX3
SCHEMBL18965614 0.84 CYP3A4 (0.42) NPC1RAB9ACYP3A4PPARGP2RX3
SCHEMBL18960443 0.83 NPC1 (0.53) NPC1RAB9APKMCYP3A4LMNA
SCHEMBL18965627 0.82 LMNA (0.41) NPC1RAB9APKMCYP3A4LMNA

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 NPC1 2764/4885RAB9A 3982/4885PKM 4228/4885

“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.