SCHEMBL10246961

SCHEMBL10246961

O=C(NO)c1ccc2c(c1)CCCC2NC(=O)c1cc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
POLB P06746 1/20 0.49
TAS1R3 Q7RTX0 4/20 0.48
TAS1R1 Q7RTX1 4/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 4/20 0.48
TAS1R2 Q8TE23 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CFD P00746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.46
TAOK3 Q9H2K8 2/20 0.46
TAOK1 Q7L7X3 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL10254077 0.88 TAS1R3 (0.44) RAB9ATAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL10249687 0.87 TAS1R3 (0.51) RAB9ATAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL10246885 0.87 TAS1R3 (0.51) RAB9ATAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL10246958 0.85 MEN1 (0.53) TAS1R3TAS1R1ALDH1A1TAS1R2KMT2A
SCHEMBL10249678 0.83 CHRNA7 (0.52) RAB9APOLBTAS1R3TAS1R1ALDH1A1
SCHEMBL10246941 0.81 CHRNA7 (0.46) TAS1R3TAS1R1ALDH1A1LMNAKMT2A
SCHEMBL10249684 0.78 HTT (0.62) TAS1R3TAS1R1ALDH1A1LMNATAS1R2
SCHEMBL10247010 0.78 HDAC3 (0.54) TAS1R3TAS1R1ALDH1A1LMNATAS1R2
SCHEMBL10247155 0.76 LMNA (0.77) RAB9ATAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL10246988 0.76 LMNA (0.49) TAS1R3TAS1R1ALDH1A1LMNATAS1R2

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 RAB9A 1801/4885POLB 306/4885TAS1R3 3594/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 RAB9A 1003/4885POLB 660/4885TAS1R3 3997/4885

“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.