SCHEMBL10247020

SCHEMBL10247020

O=C(NO)c1ccc2c(c1)CCCC2NC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYGL P06737 16/20 0.58
PYGM P11217 10/20 0.52
SMYD3 Q9H7B4 2/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
F10 P00742 1/20 0.47

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
SCHEMBL10246951 0.89 LMNA (0.51) PYGLPYGMTAS1R3TAS1R1TAS1R2
SCHEMBL10246885 0.79 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2
SCHEMBL10249687 0.79 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2
SCHEMBL10252064 0.77 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2
SCHEMBL1264533 0.74 KMT2A (0.63)
SCHEMBL10246997 0.74 LMNA (0.62) TAS1R3TAS1R1TAS1R2
SCHEMBL10246942 0.74 ALDH1A1 (0.57) TAS1R3TAS1R1TAS1R2
SCHEMBL10247081 0.74 ALDH1A1 (0.57) TAS1R3TAS1R1TAS1R2
SCHEMBL11888212 0.73 SMYD3 (0.79) PYGLPYGMSMYD3
SCHEMBL15931629 0.73 PYGL (0.61) PYGLPYGMTAS1R3TAS1R1TAS1R2

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 PYGL 4074/4885PYGM 3192/4885SMYD3 1825/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 PYGL 4119/4885PYGM 3787/4885SMYD3 981/4885

“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.