SCHEMBL10247203

SCHEMBL10247203

COC(=O)c1ccc2c(c1)C1CCC2N1C(=O)c1cccn1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ HDAC6 Q9UBN7 5/20 0.41
▸ HDAC8 Q9BY41 4/20 0.41
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HSP90AA1 P07900 2/20 0.38
▸ HSP90AB1 P08238 2/20 0.38
▸ MAOB P27338 1/20 0.37
▸ RBP4 P02753 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL356659 0.86 HDAC6 (0.58) NPC1RAB9AHDAC6HDAC8HDAC3
SCHEMBL433381 0.79 CA12 (0.42) NPC1RAB9ASMN1; SMN2MAPTHSP90AA1
SCHEMBL353212 0.73 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2MAPTHDAC6
SCHEMBL10252199 0.72 HDAC6 (0.44) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL720436 0.69 HDAC6 (0.78) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL866607 0.69 RAB9A (0.58) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL354358 0.67 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL26227721 0.67 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2MAPTHSP90AA1
SCHEMBL10252696 0.67 CA1 (0.52) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL11152269 0.66 SLC6A2 (0.56) NPC1RAB9ASMN1; SMN2MAPTKMT2A

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-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-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 NPC1 2866/4885RAB9A 1801/4885SMN1; SMN2 640/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 NPC1 2958/4885RAB9A 1003/4885SMN1; SMN2 1677/4885

“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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