SCHEMBL10246948

SCHEMBL10246948

O=C(NO)c1ccc2c(c1)CCCC2NC(=O)c1sc2ccccc2c1Cl

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 4/20 0.65
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
TAS1R3 Q7RTX0 5/20 0.51
TAS1R1 Q7RTX1 5/20 0.51
TAS1R2 Q8TE23 4/20 0.51
JAK2 O60674 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL14246768 0.86 PRSS12 (0.70) PRSS12NPC1RAB9ATAS1R3TAS1R1
SCHEMBL10247010 0.80 HDAC3 (0.54) HDAC1HDAC8HDAC6TAS1R3TAS1R1
SCHEMBL10249684 0.76 HTT (0.62) HDAC8HDAC6TAS1R3TAS1R1TAS1R2
SCHEMBL10246861 0.75 CNR1 (0.70) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL10247155 0.74 LMNA (0.77) NPC1RAB9AHDAC8HDAC6TAS1R3
SCHEMBL10246997 0.74 LMNA (0.62) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL10283622 0.73 HDAC1 (0.53) PRSS12NPC1RAB9AHDAC1HDAC8
SCHEMBL10246849 0.73 TAS1R3 (0.50) HDAC1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL10252064 0.72 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL1886020 0.72 HDAC1 (1.00) NPC1RAB9AHDAC1HDAC8HDAC6

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 PRSS12 2417/4885NPC1 2866/4885RAB9A 1801/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 PRSS12 3167/4885NPC1 2958/4885RAB9A 1003/4885

“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.