SCHEMBL28722010

SCHEMBL28722010

C[C@H](NC(=O)c1nnc(-c2cccc(Br)c2)[nH]1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ SMYD3 Q9H7B4 2/20 0.38
▸ RIPK1 Q13546 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SHMT1 P34896 2/20 0.36
▸ SHMT2 P34897 2/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ MDM2 Q00987 1/20 0.34

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
SCHEMBL28722012 1.00 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29452602 1.00 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28722247 0.91 CACNA1F (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29452655 0.91 CACNA1F (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23041562 0.80 MME (0.36) SMYD3RIPK1KMT2AIDO1
SCHEMBL23051959 0.80 MME (0.36) SMYD3RIPK1KMT2AIDO1
SCHEMBL23041420 0.80 MME (0.36) SMYD3RIPK1KMT2AIDO1
SCHEMBL23041425 0.80 MME (0.36) SMYD3RIPK1KMT2AIDO1
SCHEMBL29452729 0.80 MME (0.36) SMYD3RIPK1KMT2AIDO1
SCHEMBL29707757 0.80 MME (0.36) SMYD3RIPK1KMT2AIDO1

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-20220306617-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2022-09-29 — — US disclosed
CN-114341132-A Substituted 1, 3-phenylheteroaryl derivatives and their use in the treatment of diseases 诺华股份有限公司 2022-04-12 — — CN 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-20220306617-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE CFTR, TMEM161A, TMEM164 HDAC3 1843/4885HDAC1 2550/4885HDAC2 3576/4885

“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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