SCHEMBL10246942

SCHEMBL10246942

O=C(NO)c1ccc2c(c1)CCCC2NC(=O)c1cn2cc(Cl)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 1/20 0.57
TAS1R3 Q7RTX0 7/20 0.49
TAS1R1 Q7RTX1 7/20 0.49
TAS1R2 Q8TE23 5/20 0.49
LMNA P02545 2/20 0.45
USP30 Q70CQ3 1/20 0.43
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.41
DHODH Q02127 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 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
SCHEMBL10247081 1.00 ALDH1A1 (0.57) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL10246997 0.74 LMNA (0.62) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL10246885 0.74 TAS1R3 (0.51) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL10247020 0.74 PYGL (0.58) TAS1R3TAS1R1TAS1R2
SCHEMBL10249687 0.74 TAS1R3 (0.51) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL10246983 0.73 ALDH1A1 (0.48) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL10247155 0.73 LMNA (0.77) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL10249684 0.71 HTT (0.62) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL10246865 0.71 LMNA (0.54) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL10252477 0.71 DHODH (0.54) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2

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 ALDH1A1 676/4885KDM4E 668/4885TAS1R3 3594/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 ALDH1A1 202/4885KDM4E 597/4885TAS1R3 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.