Sugi Predict

Sugi Predict / Compounds / SCHEMBL355947

SCHEMBL355947

SCHEMBL355947

COC(=O)c1ccc2c(c1)CC(c1cc(NC(C)=O)ncn1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LIMK1 P53667 1/20 0.40
▸ LIMK2 P53671 1/20 0.40
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HDAC8 Q9BY41 3/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ HSD11B1 P28845 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RAF1 P04049 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL10249990 0.85 BRAF (0.42) CHRNB2CHRNA4MTNR1AMTNR1BALDH1A1
SCHEMBL355768 0.75 BRAF (0.43) MTNR1AMTNR1BALDH1A1HDAC8HDAC6
SCHEMBL353930 0.74 HDAC8 (0.54) HDAC8HDAC6BRAF
SCHEMBL356460 0.72 L3MBTL1 (0.42) L3MBTL1LIMK1LIMK2ALDH1A1PIK3CA
SCHEMBL353189 0.71 HDAC8 (0.53) HDAC8HDAC6
SCHEMBL355731 0.71 CHRNB2 (0.44) CHRNB2CHRNA4MTNR1AMTNR1BALDH1A1
SCHEMBL10247157 0.71 KMT2A (0.54) CHRNB2CHRNA4MTNR1AMTNR1BALDH1A1
SCHEMBL10247141 0.71 KMT2A (0.54) CHRNB2CHRNA4MTNR1AMTNR1BALDH1A1
SCHEMBL355227 0.70 DRD2 (0.57) ALDH1A1MAPT
SCHEMBL10247342 0.70 DRD2 (0.57) ALDH1A1MAPT

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-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 — — 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 L3MBTL1 1850/4885LIMK1 3866/4885LIMK2 2420/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 L3MBTL1 2144/4885LIMK1 4348/4885LIMK2 3296/4885

“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.