SCHEMBL12868680

SCHEMBL12868680

Cc1cc(C(=O)N2CCc3cc(C(=O)NO)sc3C2)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.58
PRMT5 O14744 7/20 0.43
WDR77 Q9BQA1 7/20 0.43
HIF1A Q16665 1/20 0.40
GRM5 P41594 1/20 0.40
HDAC8 Q9BY41 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 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
SCHEMBL1175219 0.93 HDAC6 (0.61) HDAC6PRMT5WDR77HIF1AGRM5
SCHEMBL7798858 0.89 HDAC6 (0.56) HDAC6PRMT5WDR77HIF1AGRM5
SCHEMBL12869007 0.86 HDAC6 (0.58) HDAC6PRMT5WDR77GRM5ALDH1A1
SCHEMBL1174049 0.85 HDAC6 (0.60) HDAC6PRMT5WDR77GRM5HDAC8
SCHEMBL1174038 0.80 HDAC6 (0.61) HDAC6PRMT5WDR77GRM5ALDH1A1
SCHEMBL1175153 0.80 HDAC6 (0.67) HDAC6PRMT5WDR77HDAC8HDAC1
SCHEMBL1173965 0.77 HDAC6 (0.61) HDAC6PRMT5WDR77HDAC1ALDH1A1
SCHEMBL1174305 0.77 HDAC6 (0.61) HDAC6PRMT5WDR77HDAC8HDAC3
SCHEMBL1174254 0.77 HDAC6 (0.57) HDAC6PRMT5WDR77ALDH1A1POLB
SCHEMBL1175507 0.77 HDAC6 (0.60) HDAC6PRMT5WDR77HDAC8HDAC3

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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885PRMT5 821/4885WDR77 1675/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885PRMT5 821/4885WDR77 1675/4885

“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.