SCHEMBL2409421

SCHEMBL2409421

CC(C)[C@@H](NC(=O)Nc1ccc(-c2ccccc2)s1)c1ccc(C(=O)NO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.57
CYP1A2 P05177 1/20 0.48
MAPK1 P28482 1/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
CNR1 P21554 2/20 0.45
HDAC6 Q9UBN7 10/20 0.42
HDAC8 Q9BY41 7/20 0.42
HDAC3 O15379 6/20 0.42
HDAC2 Q92769 6/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC11 Q96DB2 4/20 0.42
HDAC5 Q9UQL6 4/20 0.42
HDAC4 P56524 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
ALDH1A1 P00352 1/20 0.39
HPGDS O60760 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL12280277 0.89 CYP1A2 (0.50) HDAC1CYP1A2MAPK1APOBEC3AAPOBEC3G
SCHEMBL2406906 0.79 HDAC1 (0.61) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL2407097 0.77 HDAC1 (0.83) HDAC1CYP1A2MAPK1HDAC6HDAC8
SCHEMBL2407996 0.77 HDAC1 (0.83) HDAC1CYP1A2MAPK1HDAC6HDAC8
SCHEMBL2408190 0.76 HDAC1 (0.91) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL2406380 0.75 HDAC1 (0.74) HDAC1MAPK1HDAC6HDAC8HDAC3
SCHEMBL2406452 0.75 HDAC1 (0.74) HDAC1MAPK1HDAC6HDAC8HDAC3
SCHEMBL2407550 0.75 HDAC1 (0.58) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL12280028 0.74 HDAC1 (0.57) HDAC1CYP1A2HDAC6HDAC8HDAC3
SCHEMBL16297617 0.72 HDAC1 (0.65) HDAC1HDAC6HDAC8HDAC3HDAC2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US claimed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC1 3/4885CYP1A2 1934/4885MAPK1 3385/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC1 3/4885CYP1A2 1934/4885MAPK1 3385/4885

“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.