SCHEMBL17991509

SCHEMBL17991509

Cc1ccc(N2Cc3ccc(C(=O)NO)cc3OC[C@@H]2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 12/20 0.41
▸ HDAC1 Q13547 4/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HDAC8 Q9BY41 6/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NR4A1 P22736 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PLK1 P53350 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
SCHEMBL17957965 0.90 HCRTR2 (0.43) HDAC6HDAC1NPC1RAB9AHDAC8
SCHEMBL20912353 0.90 MEN1 (0.42) HDAC6HDAC8HCRTR2MEN1KMT2A
SCHEMBL17957971 0.90 MEN1 (0.42) HDAC6HDAC8HCRTR2MEN1KMT2A
SCHEMBL17957967 0.90 HCRTR2 (0.43) HDAC6HDAC1NPC1RAB9AHDAC8
SCHEMBL17957969 0.90 MEN1 (0.42) HDAC6HDAC8HCRTR2MEN1KMT2A
SCHEMBL17958081 0.90 HDAC6 (0.42) HDAC6HDAC1NPC1RAB9AHDAC8
SCHEMBL17958040 0.90 HDAC6 (0.42) HDAC6HDAC1NPC1RAB9AHDAC8
SCHEMBL17958042 0.90 HDAC6 (0.42) HDAC6HDAC1NPC1RAB9AHDAC8
SCHEMBL17957780 0.88 HDAC6 (0.39) HDAC6HDAC1HDAC8SMN1; SMN2MAPT
SCHEMBL17957776 0.88 HDAC6 (0.39) HDAC6HDAC1HDAC8SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009539-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2021-01-14 — — US disclosed
US-20160221972-A1 3-ALKYL 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 (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-20160221972-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 HDAC6 7/4885HDAC1 1/4885NPC1 1803/4885
US-20210009539-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 HDAC6 7/4885HDAC1 1/4885NPC1 1803/4885

“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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