SCHEMBL10249634

SCHEMBL10249634

O=C(Cc1c(F)cccc1F)NC1CCCc2cc(C(=O)NO)ccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAOK3 Q9H2K8 3/20 0.52
TAS1R3 Q7RTX0 4/20 0.51
TAS1R1 Q7RTX1 4/20 0.51
TAS1R2 Q8TE23 3/20 0.51
DHODH Q02127 6/20 0.48
TAOK1 Q7L7X3 2/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
P2RX7 Q99572 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
SCHEMBL10246936 0.81 TAOK3 (0.52) TAOK3TAS1R3TAS1R1TAS1R2DHODH
SCHEMBL10246933 0.80 DHODH (0.53) TAOK3TAS1R3TAS1R1DHODHTAOK1
SCHEMBL10254152 0.80 DHODH (0.56) TAOK3TAS1R3TAS1R1TAS1R2DHODH
SCHEMBL10246873 0.78 TAS1R3 (0.58) TAS1R3TAS1R1TAS1R2DHODHKMT2A
SCHEMBL10249684 0.76 HTT (0.62) TAOK3TAS1R3TAS1R1TAS1R2TAOK1
SCHEMBL10247155 0.76 LMNA (0.77) TAS1R3TAS1R1TAS1R2HDAC6KMT2A
SCHEMBL10252477 0.76 DHODH (0.54) TAS1R3TAS1R1TAS1R2DHODHKMT2A
SCHEMBL10252923 0.76 HDAC8 (0.57) TAS1R3TAS1R1TAS1R2DHODHKMT2A
SCHEMBL10247161 0.76 CA12 (0.55) TAOK3TAS1R3TAS1R1TAS1R2HDAC6
SCHEMBL10246997 0.76 LMNA (0.62) TAS1R3TAS1R1TAS1R2DHODHKMT2A

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 TAOK3 3453/4885TAS1R3 3594/4885TAS1R1 3179/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 TAOK3 3498/4885TAS1R3 3997/4885TAS1R1 3610/4885

“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.