SCHEMBL5994490

SCHEMBL5994490

O=C(/C=C/c1ccc2c(c1)CCC2NCCc1c[nH]c2ccccc12)NO

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.60
HDAC2 Q92769 14/20 0.58
HDAC11 Q96DB2 14/20 0.58
HDAC8 Q9BY41 14/20 0.58
HDAC6 Q9UBN7 14/20 0.58
HDAC3 O15379 13/20 0.58
HDAC4 P56524 13/20 0.58
HDAC7 Q8WUI4 13/20 0.58
HDAC10 Q969S8 13/20 0.58
HDAC9 Q9UKV0 13/20 0.58
HDAC5 Q9UQL6 13/20 0.58
KCNH2 Q12809 6/20 0.58
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP3A4 P08684 1/20 0.50
APP P05067 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
SCHEMBL5991498 1.00 HDAC1 (0.60) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL30985375 1.00 HDAC1 (0.60) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL5991495 1.00 HDAC1 (0.60) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL5994501 1.00 HDAC1 (0.60) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL5991499 1.00 HDAC1 (0.60) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL5991491 1.00 HDAC1 (0.60) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL30985379 0.95 HDAC1 (0.59) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL5993229 0.95 HDAC1 (0.59) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL5993238 0.95 HDAC1 (0.59) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL5741253 0.91 MEN1 (0.50) HDAC1HDAC2HDAC11HDAC8HDAC6

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 5 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
EP-3946299-A1 PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME Taiwanj Pharmaceuticals Co., Ltd. (TW) 2022-02-09 EP 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
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 559/4885HDAC2 1357/4885HDAC11 338/4885
US-20220153687-A1 PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME AADAC, ENPP2, ATXN10 HDAC1 21/4885HDAC2 36/4885HDAC11 35/4885

“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.