SCHEMBL9949384

SCHEMBL9949384

CC(C)(C)OC(=O)N1CCC(c2ccc(CN3CCc4cc(C(=O)NO)ccc4C3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
HDAC6 Q9UBN7 14/20 0.48
HDAC1 Q13547 8/20 0.48
HDAC8 Q9BY41 2/20 0.48
KDM1A O60341 1/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
MCHR1 Q99705 1/20 0.45
ESR2 Q92731 1/20 0.45
ACACB O00763 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL9950126 0.90 ACACB (0.55) NAMPTHDAC6HDAC1PRMT5WDR77
SCHEMBL10120396 0.82 HDAC6 (0.49) HDAC6HDAC1HDAC8
SCHEMBL10120395 0.82 HDAC6 (0.51) HDAC6HDAC1HDAC8KDM1APRMT5
SCHEMBL12896044 0.77 SMN1; SMN2 (0.62) HDAC6HDAC1HDAC8ACACBPOLB
SCHEMBL9959114 0.77 ACACB (0.58) PRMT5WDR77MCHR1ACACBPOLB
SCHEMBL12895811 0.76 HDAC1 (0.76) HDAC6HDAC1HDAC8PRMT5WDR77
SCHEMBL1264338 0.75 HDAC6 (0.65) HDAC6HDAC1HDAC8POLB
SCHEMBL1263457 0.74 HDAC6 (0.62) HDAC6HDAC1HDAC8KDM1AACACB
SCHEMBL9949404 0.74 HDAC6 (0.58) HDAC6HDAC1HDAC8ESR2
SCHEMBL1264249 0.74 TNF (0.66) HDAC6HDAC1HDAC8KDM1AACACB

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-8778931-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-15 US claimed
US-8778931-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8778931-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 US disclosed
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 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 (1 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-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 NAMPT 1596/4885HDAC6 1/4885HDAC1 3/4885

“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.