SCHEMBL10249652

SCHEMBL10249652

O=C(NO)c1ccc2c(c1)CCCC2NC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TAOK3 Q9H2K8 2/20 0.45
TAS1R3 Q7RTX0 5/20 0.44
TAS1R1 Q7RTX1 5/20 0.44
TAS1R2 Q8TE23 3/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
CCR2 P41597 2/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
BDKRB1 P46663 1/20 0.41
TAOK1 Q7L7X3 1/20 0.40

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
SCHEMBL10247151 0.81 LMNA (0.47) KDM4ETAOK3TAS1R3TAS1R1TAS1R2
SCHEMBL14376734 0.79 CA12 (0.60) KDM4ESMN1; SMN2LMNAKMT2ACCR2
SCHEMBL10246877 0.78 HDAC1 (0.54) TAOK3TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL10247161 0.77 CA12 (0.55) SMN1; SMN2TAOK3TAS1R3TAS1R1TAS1R2
SCHEMBL10247153 0.77 LMNA (0.50) KDM4ETAOK3TAS1R3TAS1R1TAS1R2
SCHEMBL10246997 0.77 LMNA (0.62) KDM4ETAS1R3TAS1R1TAS1R2LMNA
SCHEMBL10249719 0.76 HDAC8 (0.50) HDAC6
SCHEMBL10246936 0.75 TAOK3 (0.52) TAOK3TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL10249684 0.75 HTT (0.62) KDM4ETAOK3TAS1R3TAS1R1TAS1R2
SCHEMBL10252477 0.75 DHODH (0.54) KDM4ETAS1R3TAS1R1TAS1R2LMNA

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 KDM4E 668/4885SMN1; SMN2 640/4885TAOK3 3453/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 KDM4E 597/4885SMN1; SMN2 1677/4885TAOK3 3498/4885

“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.