SCHEMBL10246947

SCHEMBL10246947

O=C(NO)c1ccc2c(c1)CCCC2NC(=O)c1ccc2ncsc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.49
SMYD3 Q9H7B4 1/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TAS1R3 Q7RTX0 5/20 0.46
TAS1R1 Q7RTX1 5/20 0.46
LMNA P02545 3/20 0.46
TAS1R2 Q8TE23 3/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL31053633 0.78 NPC1 (0.68) NPC1RAB9AL3MBTL1KDM4EHKDC1
SCHEMBL13485767 0.78 NPC1 (0.68) NPC1RAB9AL3MBTL1KDM4EHKDC1
SCHEMBL10246997 0.78 LMNA (0.62) L3MBTL1KDM4ETAS1R3TAS1R1LMNA
SCHEMBL10246849 0.78 TAS1R3 (0.50) L3MBTL1KDM4ETAS1R3TAS1R1LMNA
SCHEMBL10249684 0.76 HTT (0.62) L3MBTL1KDM4ETAS1R3TAS1R1LMNA
SCHEMBL10246865 0.76 LMNA (0.54) L3MBTL1KDM4ETAS1R3TAS1R1LMNA
SCHEMBL10247155 0.76 LMNA (0.77) NPC1RAB9AKDM4ETAS1R3TAS1R1
SCHEMBL10252477 0.76 DHODH (0.54) L3MBTL1KDM4ETAS1R3TAS1R1LMNA
SCHEMBL10246873 0.75 TAS1R3 (0.58) L3MBTL1KDM4ETAS1R3TAS1R1LMNA
SCHEMBL10246983 0.75 ALDH1A1 (0.48) TAS1R3TAS1R1LMNATAS1R2KMT2A

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 CHRNA7 1852/4885SMYD3 1825/4885NPC1 2866/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 CHRNA7 1999/4885SMYD3 981/4885NPC1 2958/4885

“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.