SCHEMBL16675141

SCHEMBL16675141

OCc1cnc(N(c2ccccc2)c2ccccc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.44
HDAC1 Q13547 4/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
RAB9A P51151 1/20 0.37
LTA4H P09960 1/20 0.34

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
SCHEMBL12176776 0.78 TSHR (0.40) HDAC6TSHRMEN1KMT2ALTA4H
SCHEMBL22014244 0.77 HDAC6 (0.39) HDAC6HDAC1TSHRALDH1A1TDP1
Benzyl Alcohol SCHEMBL28301197 0.74 TSHR (0.70) TSHRALDH1A1TDP1MAPTMEN1
SCHEMBL4582422 0.74 TDP1 (0.54) HDAC6HDAC1TSHRALDH1A1TDP1
SCHEMBL18294910 0.74 ALDH1A1 (0.45) HDAC6HDAC1TSHRALDH1A1TDP1
SCHEMBL28360398 0.74 MAPT (0.52) HDAC6HDAC1TSHRALDH1A1TDP1
SCHEMBL6879552 0.73 ALDH1A1 (0.55) HDAC6HDAC1TSHRALDH1A1TDP1
SCHEMBL439584 0.73 TSHR (0.59) TSHRALDH1A1TDP1MAPTMEN1
SCHEMBL279125 0.73 TSHR (0.59) TSHRALDH1A1TDP1MAPTMEN1
SCHEMBL14488604 0.73 TSHR (0.59) TSHRALDH1A1TDP1MAPTMEN1

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-20150119413-A1 TREATMENT OF POLYCYSTIC DISEASES WITH AN HDAC6 INHIBITOR MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-04-30 US disclosed
US-20150119413-A1 TREATMENT OF POLYCYSTIC DISEASES WITH AN HDAC6 INHIBITOR MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-04-30 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-20150119413-A1 TREATMENT OF POLYCYSTIC DISEASES WITH AN HDAC6 INHIBITOR HDAC6, PKD1, PKD2 HDAC6 1/4885HDAC1 4/4885TSHR 4156/4885

“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.