SCHEMBL10247071

SCHEMBL10247071

O=C(NO)c1ccc2c(c1)CCCC2NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.52
HDAC6 Q9UBN7 7/20 0.52
HDAC3 O15379 6/20 0.52
HDAC4 P56524 6/20 0.52
HDAC1 Q13547 6/20 0.52
HDAC7 Q8WUI4 6/20 0.52
HDAC2 Q92769 6/20 0.52
HDAC10 Q969S8 6/20 0.52
HDAC11 Q96DB2 6/20 0.52
HDAC9 Q9UKV0 6/20 0.52
HDAC5 Q9UQL6 6/20 0.52
NCOR2 Q9Y618 5/20 0.52
TNF P01375 1/20 0.49
NOD1 Q9Y239 1/20 0.49
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
TAS1R2 Q8TE23 2/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL10249731 1.00 HDAC8 (0.52) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL10247230 0.91 LMNA (0.48) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL10247022 0.91 LMNA (0.48) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL10246873 0.85 TAS1R3 (0.58) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL10246902 0.81 KMT2A (0.48) TAS1R3TAS1R1MEN1KMT2ALMNA
SCHEMBL10252064 0.76 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL10249684 0.75 HTT (0.62) HDAC8HDAC6TAS1R3TAS1R1TAS1R2
SCHEMBL10252477 0.73 DHODH (0.54) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL10246997 0.73 LMNA (0.62) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL10258791 0.72 TAS1R3 (0.52) HDAC8HDAC6HDAC3TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HDAC8 13/4885HDAC6 1/4885HDAC3 4/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC8 20/4885HDAC6 1/4885HDAC3 10/4885

“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.