SCHEMBL10246933

SCHEMBL10246933

Cc1ccc(CC(=O)NC2CCCc3cc(C(=O)NO)ccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.53
TAOK3 Q9H2K8 4/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.51
BDKRB1 P46663 4/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
TAOK1 Q7L7X3 3/20 0.46
ATM Q13315 1/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL10246997 0.88 LMNA (0.62) DHODHALDH1A1LMNATAS1R3TAS1R1
SCHEMBL10254152 0.86 DHODH (0.56) DHODHTAOK3ALDH1A1BDKRB1TAS1R3
SCHEMBL10246936 0.83 TAOK3 (0.52) DHODHTAOK3ALDH1A1LMNATAS1R3
SCHEMBL10247155 0.81 LMNA (0.77) ALDH1A1LMNATAS1R3TAS1R1HDAC6
SCHEMBL10249634 0.80 TAOK3 (0.52) DHODHTAOK3ALDH1A1LMNATAS1R3
SCHEMBL10247153 0.78 LMNA (0.50) TAOK3ALDH1A1LMNATAS1R3TAS1R1
SCHEMBL10247151 0.78 LMNA (0.47) TAOK3ALDH1A1LMNATAS1R3TAS1R1
SCHEMBL10246854 0.78 NPC1 (0.54) DHODHTAOK3ALDH1A1LMNATAS1R3
SCHEMBL10247022 0.77 LMNA (0.48) DHODHLMNATAS1R3TAS1R1HDAC3
SCHEMBL10247230 0.77 LMNA (0.48) DHODHLMNATAS1R3TAS1R1HDAC3

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 2 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-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 DHODH 1593/4885TAOK3 3453/4885ALDH1A1 676/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 DHODH 429/4885TAOK3 3498/4885ALDH1A1 202/4885

“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.