SCHEMBL8545228

SCHEMBL8545228

CCOC(=O)NCCc1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
GLA P06280 1/20 0.56
KMT2A Q03164 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
TAAR1 Q96RJ0 1/20 0.54
CNR1 P21554 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.46
MTNR1A P48039 1/20 0.45

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
SCHEMBL18892410 0.89 NPC1 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2016946 0.87 TAAR1 (0.58) NPC1RAB9ATAAR1CNR1L3MBTL1
SCHEMBL5263204 0.87 NPC1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10242983 0.85 TSHR (0.58) KMT2ANPC1KDM4EMAPK1
SCHEMBL15466955 0.85 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12885093 0.84 SPR (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16294070 0.84 TAAR1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8218888 0.83 SMN1; SMN2 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27087783 0.83 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18892533 0.83 TAAR1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2023-05-11 US disclosed
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2023-05-11 US disclosed
WO-2018140598-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2018-08-02 WO disclosed
EP-0526402-B1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA GEIGY AG (CH) 1998-01-21 EP disclosed
US-5350761-A Lipoxygenase inhibitors as antiinflammatory agents and antiallergens CIBA-GEIGY CORPORATION (US) 1994-09-27 US disclosed
US-5334600-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1994-08-02 US disclosed
US-5260316-A Lipoxygenase inhibitor CIBA-GEIGY CORPORATION (US) 1993-11-09 US disclosed
EP-0526402-A1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA-GEIGY AG (CH) 1993-02-03 EP 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-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS HDAC3 1472/4885HDAC4 2091/4885HDAC1 338/4885

“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.