SCHEMBL10246885

SCHEMBL10246885

O=C(NO)c1ccc2c(c1)CCC[C@H]2NC(=O)c1cc2cc(Cl)ccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.51
TAS1R1 Q7RTX1 4/20 0.51
TAS1R2 Q8TE23 3/20 0.51
BDKRB1 P46663 5/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
DHODH Q02127 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
LMNA P02545 2/20 0.41

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
SCHEMBL10249687 1.00 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2BDKRB1NPC1
SCHEMBL10254077 0.89 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL10246961 0.87 RAB9A (0.54) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL10246958 0.86 MEN1 (0.53) TAS1R3TAS1R1TAS1R2DHODHALDH1A1
SCHEMBL10247020 0.79 PYGL (0.58) TAS1R3TAS1R1TAS1R2
SCHEMBL4925419 0.79 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2RAB9AALDH1A1
SCHEMBL10249678 0.77 CHRNA7 (0.52) TAS1R3TAS1R1NPC1RAB9AALDH1A1
SCHEMBL10246941 0.75 CHRNA7 (0.46) TAS1R3TAS1R1ALDH1A1LMNAHSD17B10
SCHEMBL1263651 0.74 NPC1 (0.59) NPC1RAB9AALDH1A1HDAC3HDAC4
SCHEMBL10246997 0.74 LMNA (0.62) TAS1R3TAS1R1TAS1R2DHODHALDH1A1

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-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
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 TAS1R3 3594/4885TAS1R1 3179/4885TAS1R2 2810/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 TAS1R3 3997/4885TAS1R1 3610/4885TAS1R2 3512/4885

“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.