SCHEMBL20912353

SCHEMBL20912353

C[C@@H]1COc2cc(C(=O)NO)ccc2CN1c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HDAC6 Q9UBN7 11/20 0.40
▸ HDAC8 Q9BY41 4/20 0.40
▸ TP53 P04637 1/20 0.39
▸ KDM1A O60341 5/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ HTR7 P34969 1/20 0.37
▸ NTRK1 P04629 2/20 0.37

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
SCHEMBL17957971 1.00 MEN1 (0.42) MEN1KMT2AHDAC6HDAC8TP53
SCHEMBL17957969 1.00 MEN1 (0.42) MEN1KMT2AHDAC6HDAC8TP53
SCHEMBL17991509 0.90 HDAC6 (0.41) MEN1KMT2AHDAC6HDAC8HCRTR2
SCHEMBL17957965 0.89 HCRTR2 (0.43) MEN1KMT2AHDAC6HDAC8TP53
SCHEMBL17957967 0.89 HCRTR2 (0.43) MEN1KMT2AHDAC6HDAC8TP53
SCHEMBL17958081 0.89 HDAC6 (0.42) MEN1KMT2AHDAC6HDAC8MAOB
SCHEMBL17958040 0.89 HDAC6 (0.42) MEN1KMT2AHDAC6HDAC8MAOB
SCHEMBL17958042 0.89 HDAC6 (0.42) MEN1KMT2AHDAC6HDAC8MAOB
SCHEMBL17957578 0.89 HDAC6 (0.43) MEN1KMT2AHDAC6HDAC8HCRTR2
SCHEMBL20912073 0.89 HDAC6 (0.43) MEN1KMT2AHDAC6HDAC8HCRTR2

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-10428031-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-10-01 — — US disclosed
US-20190112280-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2019-04-18 — — 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-20190112280-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 MEN1 4414/4885KMT2A 62/4885HDAC6 7/4885
US-10428031-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 MEN1 4414/4885KMT2A 62/4885HDAC6 7/4885

“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.

Send feedback