SCHEMBL17973610

SCHEMBL17973610

Cc1cc(C)cc(C(=O)N2CCOc3cc(C(=O)NO)ccc3C2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 10/20 0.46
▸ HDAC8 Q9BY41 5/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HPGD P15428 2/20 0.43
▸ RIPK1 Q13546 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PIK3CA P42336 1/20 0.41

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
SCHEMBL20931160 0.90 PIK3CA (0.43) HDAC6HDAC8HDAC3HDAC1RIPK1
SCHEMBL17960094 0.86 HDAC6 (0.57) HDAC6HDAC8HDAC3HDAC1HPGD
SCHEMBL17960232 0.84 HDAC6 (0.47) HDAC6HDAC8HDAC3HDAC1RIPK1
SCHEMBL17960511 0.84 HDAC6 (0.58) HDAC6HPGDRIPK1NPC1RAB9A
SCHEMBL17960436 0.84 HDAC6 (0.48) HDAC6HDAC8HDAC3HDAC1HPGD
SCHEMBL17960656 0.84 HPGD (0.60) HPGDNPC1RAB9AALDH1A1
SCHEMBL17960157 0.83 HDAC6 (0.46) HDAC6HDAC8HDAC3HDAC1RIPK1
SCHEMBL17960271 0.83 GPR183 (0.52) HDAC6HDAC8HDAC3HDAC1HPGD
SCHEMBL17960198 0.82 HDAC6 (0.47) HDAC6HDAC8HDAC3HDAC1HPGD
SCHEMBL17960461 0.82 HDAC6 (0.52) HDAC6HDAC8HDAC3HDAC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20160222028-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 HDAC6 6/4885HDAC8 9/4885HDAC3 5/4885

“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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