SCHEMBL17973717

SCHEMBL17973717

COc1cccc(C(C(=O)N2CCOc3cc(C(=O)NO)ccc3C2)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.46
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ GPR142 Q7Z601 3/20 0.41
▸ ROCK2 O75116 4/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ USP9X Q93008 2/20 0.40
▸ GPR139 Q6DWJ6 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL17960248 0.83 HCRTR2 (0.51) RIPK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL17960499 0.83 USP9X (0.46) RIPK1RAB9AKMT2AUSP9XPLK1
SCHEMBL17960114 0.82 CHRM1 (0.49) RIPK1NPC1RAB9APKMGPR142
SCHEMBL17960293 0.82 L3MBTL1 (0.57) RIPK1NPC1RAB9APKMALDH1A1
SCHEMBL17960345 0.82 HDAC6 (0.46) RIPK1USP9X
SCHEMBL17960343 0.82 HDAC6 (0.46) RIPK1USP9X
SCHEMBL17960645 0.82 HDAC6 (0.46) RIPK1USP9X
SCHEMBL17960424 0.81 ALOX15 (0.47) RIPK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL17960273 0.80 ALDH1A1 (0.49) RIPK1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL17960066 0.79 RIPK1 (0.42) RIPK1USP9X

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464909-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-11-05 — — US disclosed
US-10421732-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-09-24 — — US disclosed
US-20190119230-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2019-04-25 — — US disclosed
US-20190119227-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2019-04-25 — — US disclosed
US-20160222028-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-08-04 — — US disclosed
US-20160222028-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-08-04 — — 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 (5 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-20190119227-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 RIPK1 3548/4885NPC1 1887/4885RAB9A 2943/4885
US-20190119230-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 RIPK1 3548/4885NPC1 1887/4885RAB9A 2943/4885
US-10464909-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 RIPK1 3548/4885NPC1 1887/4885RAB9A 2943/4885
US-20160222028-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 RIPK1 3548/4885NPC1 1887/4885RAB9A 2943/4885
US-10421732-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 RIPK1 3548/4885NPC1 1887/4885RAB9A 2943/4885

“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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