SCHEMBL9950571

SCHEMBL9950571

COC(=O)c1ccc2c(c1)CCN(Cc1ccc(Br)cc1)C2

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.69
TNF P01375 2/20 0.58
NOD2 Q9HC29 2/20 0.58
NOD1 Q9Y239 2/20 0.58
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ACHE P22303 1/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
LMNA P02545 2/20 0.51
ABCB1 P08183 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL3968486 0.88 ACACB (0.69) ACACBTNFNOD2NOD1POLB
SCHEMBL4517559 0.85 ACACB (0.66) ACACBTNFNOD2NOD1HDAC1
SCHEMBL1036356 0.84 ACACB (0.63) ACACBTNFNOD2NOD1HDAC1
SCHEMBL20672151 0.84 TNF (0.64) ACACBTNFNOD2NOD1HDAC1
SCHEMBL17585155 0.82 ACACB (1.00) ACACB
SCHEMBL20178679 0.81 ACACB (0.59) ACACBHDAC6MEN1KMT2AKDM4E
SCHEMBL1075408 0.81 ACACB (0.60) ACACBTNFNOD2NOD1HDAC1
SCHEMBL23329788 0.80 PRMT5 (0.54) HDAC1HDAC6HPGDMEN1KMT2A
SCHEMBL29373543 0.80 PRMT5 (0.54) HDAC1HDAC6HPGDMEN1KMT2A
SCHEMBL12895811 0.80 HDAC1 (0.76) ACACBTNFNOD2NOD1HDAC1

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 8 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 disclosed
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
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 US disclosed
WO-2012088015-A2 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
WO-2012088015-A2 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 WO 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 ACACB 190/4885TNF 760/4885NOD2 1590/4885

“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.