SCHEMBL9949513

SCHEMBL9949513

COC(=O)c1ccc2c(c1)CCN(Cc1ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc1)C2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.54
NAMPT P43490 2/20 0.51
PRMT5 O14744 2/20 0.49
WDR77 Q9BQA1 2/20 0.49
ESR2 Q92731 1/20 0.45
ABCB1 P08183 5/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.41
WNT3A P56704 1/20 0.41
ACHE P22303 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CHKA P35790 1/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
LMNA P02545 1/20 0.41

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 0.82 ACACB (0.55) ACACBNAMPTPRMT5WDR77ESR2
SCHEMBL2951348 0.81 NAMPT (0.60) NAMPT
SCHEMBL9950511 0.79 ACACB (0.52) ACACBABCB1LMNA
SCHEMBL3024823 0.79 ESR2 (0.69) ACACBNAMPTESR2HDAC1HDAC6
SCHEMBL30301758 0.79 ESR2 (0.69) ACACBNAMPTESR2HDAC1HDAC6
SCHEMBL5663801 0.77 ESR2 (0.57) ESR2HDAC1HDAC6LMNA
SCHEMBL31198982 0.76 NAMPT (0.58) NAMPTPRMT5WDR77LMNA
SCHEMBL22324970 0.76 NAMPT (0.55) NAMPT
SCHEMBL31706789 0.76 NAMPT (0.55) NAMPT
SCHEMBL9950571 0.76 ACACB (0.69) ACACBABCB1HPGDPOLBACHE

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 190/4885NAMPT 1596/4885PRMT5 465/4885

“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.