SCHEMBL5993229

SCHEMBL5993229

O=C(/C=C/c1ccc2c(c1)CCCC2NCCc1c[nH]c2ccccc12)NO

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.59
HDAC3 O15379 12/20 0.57
HDAC4 P56524 12/20 0.57
HDAC7 Q8WUI4 12/20 0.57
HDAC2 Q92769 12/20 0.57
HDAC10 Q969S8 12/20 0.57
HDAC11 Q96DB2 12/20 0.57
HDAC8 Q9BY41 12/20 0.57
HDAC6 Q9UBN7 12/20 0.57
HDAC9 Q9UKV0 12/20 0.57
HDAC5 Q9UQL6 12/20 0.57
KCNH2 Q12809 5/20 0.57
TAOK1 Q7L7X3 1/20 0.52
TAOK3 Q9H2K8 1/20 0.52
CYP3A4 P08684 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL30985379 1.00 HDAC1 (0.59) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5993238 1.00 HDAC1 (0.59) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5994490 0.95 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5994501 0.95 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5991495 0.95 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5991491 0.95 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5991498 0.95 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL30985375 0.95 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5991499 0.95 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL22516776 0.91 MEN1 (0.51) HDAC1HDAC3HDAC4HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153687-A1 PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2022-05-19 US disclosed
WO-2020205455-A1 PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME TAIWANJ PHARMACEUTICALS, CO., LTD. (TW) 2020-10-08 WO disclosed
US-20060063760-A1 Hydroxamic acids useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-23 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-20060063760-A1 Hydroxamic acids useful in the treatment of hyper-proliferative disorders MKI67, PCNA, CCNA1 HDAC1 559/4885HDAC3 1516/4885HDAC4 341/4885
US-20220153687-A1 PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME AADAC, ENPP2, ATXN10 HDAC1 21/4885HDAC3 10/4885HDAC4 44/4885

“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.