SCHEMBL20077451

SCHEMBL20077451

BNC(=O)c1ccccccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.61
HDAC3 O15379 1/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
IDO1 P14902 1/20 0.61
HDAC1 Q13547 1/20 0.61
CA9 Q16790 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HSD17B10 Q99714 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
NCOR2 Q9Y618 1/20 0.61
GAA P10253 1/20 0.56
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
PTGS2 P35354 1/20 0.52
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50

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
SCHEMBL12243560 1.00 ALOX15 (0.61) ALOX15HDAC3CA12CA1IDO1
SCHEMBL400890 0.78 RAB9A (0.77) ALOX15HDAC3CA12CA1IDO1
SCHEMBL76489 0.78 ALDH1A1 (0.67) ALOX15HDAC3CA12CA1IDO1
SCHEMBL8192752 0.78 ALOX15 (0.67) ALOX15HDAC3CA12CA1IDO1
SCHEMBL7796539 0.77 HDAC8 (0.60) ALOX15HDAC3CA12CA1IDO1
Benzohydroxamate SCHEMBL133061 0.76 HDAC8 (1.00) ALOX15HDAC3CA12CA1IDO1
SCHEMBL12324391 0.76 RAB9A (0.82) ALOX15HDAC3CA12CA1IDO1
SCHEMBL21755109 0.76 HDAC8 (1.00) ALOX15HDAC3CA12CA1IDO1
Benzohydroxamate SCHEMBL28299068 0.76 HDAC8 (1.00) ALOX15HDAC3CA12CA1IDO1
Benzohydroxamate SCHEMBL28895973 0.76 HDAC8 (1.00) ALOX15HDAC3CA12CA1IDO1

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-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2020-02-11 US disclosed
US-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2018-04-19 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 (2 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-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NTRK2, NGF ALOX15 1324/4885HDAC3 1334/4885CA12 4867/4885
US-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof NGFR, NTRK2, NGF ALOX15 1324/4885HDAC3 1334/4885CA12 4867/4885

“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.