SCHEMBL14224529

SCHEMBL14224529

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOXO1 Q12778 2/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.39
HSP90AA1 P07900 2/20 0.39
PKM P14618 2/20 0.39
RAB9A P51151 2/20 0.39
PAX8 Q06710 1/20 0.39
HPSE Q9Y251 6/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL14224539 0.92 NPC1 (0.43) FOXO1KMT2ANPC1HSP90AA1PKM
SCHEMBL14224552 0.92 SMN1; SMN2 (0.43) KMT2ANPC1PKMRAB9AMAPT
SCHEMBL14224802 0.86 MAPT (0.41) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL14224550 0.82 HDAC1 (0.34) KMT2APKMHPSEMAPTSMN1; SMN2
SCHEMBL14224553 0.82 AURKA (0.35) SMN1; SMN2
SCHEMBL14224524 0.81 MAPT (0.37) NPC1RAB9AHPSEMAPTSMN1; SMN2
SCHEMBL14224803 0.81 FPR1 (0.42) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL14224801 0.79 CYP11B2 (0.39) KMT2ANPC1PKMRAB9AHPSE
SCHEMBL14224536 0.78 MCHR1 (0.44) MAPTSMN1; SMN2ALDH1A1MCHR1
SCHEMBL14224675 0.78 MAPT (0.43) KMT2ANPC1PKMRAB9AMAPT

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 FOXO1 1786/4885KMT2A 3292/4885NPC1 796/4885

“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.