SCHEMBL3116779

SCHEMBL3116779

COc1ccc(N(C)c2nc(NCCNC(C)=O)nc3ccccc23)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 4/20 0.53
▸ HDAC6 Q9UBN7 4/20 0.53
▸ HDAC1 Q13547 3/20 0.53
▸ HDAC3 O15379 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ CYP1A2 P05177 4/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ CYP2E1 P05181 1/20 0.51
▸ CYP2D6 P10635 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ ACHE P22303 7/20 0.48
▸ TUBB4A P04350 1/20 0.48
▸ TUBB P07437 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
SCHEMBL3118914 0.92 HDAC8 (0.53) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL3114720 0.88 HDAC8 (0.49) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL3115828 0.87 TUBB4A (0.52) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL13413776 0.85 TUBB4A (0.52) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL3119126 0.82 TUBB4A (0.60) HDAC8HDAC6HDAC1TUBB4ATUBB
SCHEMBL3120924 0.81 TUBB4A (0.61) HDAC8HDAC6HDAC1TUBB4ATUBB
SCHEMBL3112141 0.80 EGFR (0.54) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL3125290 0.79 TUBB4A (0.58) HDAC8HDAC6HDAC1TUBB4ATUBB
SCHEMBL3119458 0.79 TUBB4A (0.46) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL3116762 0.78 ACHE (0.78) CYP1A2CYP3A4CYP2D6TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-03-18 — — US claimed
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-03-18 — — US disclosed
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-03-18 — — US disclosed
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-03-18 — — 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-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MKI67, CCNI, CCNA1 HDAC8 3602/4885HDAC6 1054/4885HDAC1 1855/4885

“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.

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