SCHEMBL7801296

SCHEMBL7801296

CC1(C)CN(C(=O)Nc2c(F)cccc2F)Cc2cc(C(=O)NO)sc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HTR3A P46098 2/20 0.37
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36
NAMPT P43490 3/20 0.36
CHRNA7 P36544 3/20 0.36
NOX1 Q9Y5S8 1/20 0.35

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
SCHEMBL7799029 0.80 NPC1 (0.52) HDAC6HDAC3HDAC1HDAC2TAS1R3
SCHEMBL12869062 0.80 HDAC6 (0.39) HDAC6TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL7799965 0.78 NAMPT (0.52) NAMPT
SCHEMBL7796730 0.77 HDAC6 (0.46) HDAC6HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL7789527 0.77 HDAC1 (0.47) HDAC6HDAC3HDAC1HDAC2NAMPT
SCHEMBL7789524 0.76 TAS1R3 (0.38) HDAC6HDAC3HDAC1HDAC2TAS1R3
SCHEMBL7790576 0.76 HDAC1 (0.48) HDAC6HDAC3HDAC1ALDH1A1MAPT
SCHEMBL7801235 0.76 HDAC1 (0.48) HDAC6HDAC3HDAC1ALDH1A1MAPT
SCHEMBL7795317 0.76 HDAC1 (0.48) HDAC6HDAC3HDAC1ALDH1A1MAPT
SCHEMBL1174109 0.76 NAMPT (0.46) HDAC6HDAC3HDAC1HDAC2ALDH1A1

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 5 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-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
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885HDAC3 4/4885HDAC1 3/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885HDAC3 4/4885HDAC1 3/4885

“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.