SCHEMBL10246941

SCHEMBL10246941

CCOc1cccc2cc(C(=O)NC3CCCc4cc(C(=O)NO)ccc43)oc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 4/20 0.45
CYP2D6 P10635 3/20 0.45
CYP1A2 P05177 2/20 0.45
PKM P14618 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
TAS1R3 Q7RTX0 4/20 0.43
TAS1R1 Q7RTX1 4/20 0.43
CYP2C9 P11712 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL10249678 0.90 CHRNA7 (0.52) CHRNA7ALDH1A1MEN1KMT2ALMNA
SCHEMBL10246961 0.81 RAB9A (0.54) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL10246958 0.76 MEN1 (0.53) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL10254077 0.75 TAS1R3 (0.44) ALDH1A1MEN1KMT2ALMNATAS1R3
SCHEMBL10249687 0.75 TAS1R3 (0.51) ALDH1A1KMT2ALMNATAS1R3TAS1R1
SCHEMBL10246885 0.75 TAS1R3 (0.51) ALDH1A1KMT2ALMNATAS1R3TAS1R1
SCHEMBL10247155 0.72 LMNA (0.77) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL10247010 0.72 HDAC3 (0.54) CHRNA7ALDH1A1MEN1KMT2ALMNA
SCHEMBL10246997 0.72 LMNA (0.62) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL6240470 0.71 KMT2A (0.56) CHRNA7CHRNB2CHRNA4ALDH1A1MEN1

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
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 1852/4885CHRNB2 1972/4885CHRNA4 2816/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 CHRNA7 1999/4885CHRNB2 2107/4885CHRNA4 3008/4885

“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.