SCHEMBL10247322

SCHEMBL10247322

COC(=O)c1ccc2c(c1)C=C(c1ccnc(NC(C)=O)c1)CC2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 16/20 0.44
ALDH1A1 P00352 1/20 0.40
TRPA1 O75762 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KDM6B O15054 1/20 0.38
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38

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
SCHEMBL356460 0.83 L3MBTL1 (0.42) ALDH1A1TRPA1KDM4EKDM6BKDM5C
SCHEMBL10250214 0.75 HSD17B10 (0.42) ALDH1A1TRPA1
SCHEMBL2309698 0.75 KDM4E (0.55) PIK3C3ALDH1A1KDM4EKDM6BKDM5C
SCHEMBL31095588 0.75 KDM4E (0.55) PIK3C3ALDH1A1KDM4EKDM6BKDM5C
SCHEMBL10249990 0.70 BRAF (0.42) PIK3C3ALDH1A1
SCHEMBL10247228 0.70 TRPA1 (0.46) ALDH1A1TRPA1KDM4E
SCHEMBL10247300 0.67 TDP1 (0.50) ALDH1A1TRPA1KDM4E
SCHEMBL354551 0.66 PTGS2 (0.55) ALDH1A1KDM4E
SCHEMBL16896573 0.66 MEN1 (0.51) PIK3C3
SCHEMBL5542919 0.66 PIK3C3 (0.57) PIK3C3

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 5 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
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

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 PIK3C3 1788/4885ALDH1A1 676/4885TRPA1 3278/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 PIK3C3 2388/4885ALDH1A1 202/4885TRPA1 2571/4885

“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.