SCHEMBL974355

SCHEMBL974355

COc1cccc(-c2cc(F)ccc2C(=O)NO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TP53 P04637 2/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
HDAC7 Q8WUI4 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45

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
SCHEMBL12922056 0.88 HDAC7 (0.51) GAAKDM4EHDAC7MAPTALDH1A1
SCHEMBL974282 0.85 HDAC7 (0.68) GAAKDM4ETP53RAB9ANPC1
SCHEMBL977594 0.83 GAA (0.65) GAAKDM4ERAB9ANPC1HDAC7
SCHEMBL6294665 0.76 GAA (0.73) GAAKDM4ETP53RAB9ANPC1
SCHEMBL16429142 0.76 HDAC4 (0.51) RAB9ANPC1MEN1KMT2AHDAC1
SCHEMBL20208770 0.75 KDM4E (0.56) GAAKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL29706084 0.75 KDM4E (0.56) GAAKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL10094666 0.74 ABL1 (0.51) ALDH1A1AKR1C3AKR1C2ABL1KDM1A
SCHEMBL4970056 0.74 CYP1A2 (0.53) HDAC2HDAC8KDM1AHSD17B10
SCHEMBL8483513 0.73 LMNA (0.49) GAAKDM4ETP53RAB9ANPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 GAA 245/4885KDM4E 165/4885TP53 2045/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 GAA 245/4885KDM4E 165/4885TP53 2045/4885

“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.