Sugi Predict

Sugi Predict / Compounds / SCHEMBL356460

SCHEMBL356460

SCHEMBL356460

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ADORA3 P0DMS8 7/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ LIMK2 P53671 1/20 0.40
▸ TRPA1 O75762 2/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ PIP4K2C Q8TBX8 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ KDM6B O15054 1/20 0.33
▸ KDM5C P41229 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL10247322 0.83 PIK3C3 (0.44) ALDH1A1TRPA1KDM4EKDM6BKDM5C
SCHEMBL355947 0.72 L3MBTL1 (0.42) L3MBTL1ADORA3ALDH1A1LIMK1LIMK2
SCHEMBL10247228 0.70 TRPA1 (0.46) ALDH1A1TRPA1CA12CA9KDM4E
SCHEMBL10250214 0.68 HSD17B10 (0.42) ALDH1A1TRPA1CA12CA9
SCHEMBL2309698 0.67 KDM4E (0.55) L3MBTL1ALDH1A1PIK3CAPIK3CBPIK3CG
SCHEMBL31095588 0.67 KDM4E (0.55) L3MBTL1ALDH1A1PIK3CAPIK3CBPIK3CG
SCHEMBL17858398 0.66 TRPA1 (0.42) ALDH1A1TRPA1CA12CA9KDM4E
SCHEMBL9644030 0.64 CA1 (0.55) L3MBTL1ALDH1A1TRPA1CA12CA9
SCHEMBL10249990 0.64 BRAF (0.42) ALDH1A1
SCHEMBL10247300 0.62 TDP1 (0.50) L3MBTL1ALDH1A1TRPA1CA12CA9

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 1850/4885ADORA3 1634/4885ALDH1A1 676/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 L3MBTL1 2144/4885ADORA3 1046/4885ALDH1A1 202/4885

“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.