SCHEMBL14224539

SCHEMBL14224539

COc1cc(Cl)ccc1C(=O)Nc1cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)n(C)c2)n(CCCN(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 1/20 0.43
KLF5 Q13887 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FOXO1 Q12778 2/20 0.40
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSP90AA1 P07900 2/20 0.39
PKM P14618 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38
PAX8 Q06710 1/20 0.38

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
SCHEMBL14224529 0.92 FOXO1 (0.41) NPC1RAB9AFOXO1MAPTKMT2A
SCHEMBL14224802 0.91 MAPT (0.41) NPC1RAB9APOLBKLF5TDP1
SCHEMBL14224552 0.84 SMN1; SMN2 (0.43) NPC1RAB9APOLBMAPTKMT2A
SCHEMBL14224803 0.83 FPR1 (0.42) NPC1RAB9APOLBTDP1MAPT
SCHEMBL14224801 0.83 CYP11B2 (0.39) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL14224524 0.83 MAPT (0.37) NPC1RAB9APOLBMAPTKDM4E
SCHEMBL14224675 0.83 MAPT (0.43) NPC1RAB9APOLBKLF5TDP1
SCHEMBL14224798 0.81 CYP11B2 (0.40) NPC1RAB9A
SCHEMBL14224761 0.81 MAPT (0.50) NPC1RAB9APOLBMAPTKMT2A
SCHEMBL14224793 0.79 CYP11B2 (0.36)

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-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7265129-B2 Anti-infective biaryl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2007-09-04 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-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS QTRT1, Q6ZSR9, QTRT2 NPC1 796/4885RAB9A 100/4885POLB 598/4885

“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.