SCHEMBL9987472

SCHEMBL9987472

O=C(C=Cc1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cc1)NO

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.74
HDAC3 O15379 10/20 0.74
HDAC8 Q9BY41 9/20 0.74
HDAC4 P56524 8/20 0.74
HDAC6 Q9UBN7 8/20 0.74
HDAC2 Q92769 7/20 0.74
HDAC7 Q8WUI4 4/20 0.74
HDAC10 Q969S8 4/20 0.74
HDAC11 Q96DB2 4/20 0.74
HDAC9 Q9UKV0 4/20 0.74
HDAC5 Q9UQL6 4/20 0.74
BACE1 P56817 2/20 0.54
EGFR P00533 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48

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
SCHEMBL7935110 1.00 HDAC1 (0.74) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL2357262 0.90 HDAC1 (0.60) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL2357257 0.90 HDAC1 (0.60) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL7945915 0.86 HDAC1 (0.73) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL18495184 0.85 HDAC1 (1.00) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL7936520 0.82 HDAC1 (0.64) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL8722102 0.81 HDAC3 (0.61) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL7945910 0.80 HDAC1 (0.62) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL4266568 0.76 HDAC1 (0.60) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL2839194 0.75 EPHX1 (0.62) HDAC1HDAC3HDAC8HDAC4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349245-B1 TREATMENT OF LATENT HIV-1 INFECTIONS USING AURANOFIN OR ARSENIC TRIOXIDE Istituto Superiore di Sanità (IT) 2016-08-03 EP disclosed
US-20150024065-A1 TREATMENT OF RETROVIRAL RESERVOIRS EXPLOITING OXIDATIVE STRESS ISTITUTO SUPERIORE DI SANITA (IT) 2015-01-22 US disclosed
US-8785493-B2 Treatment of retroviral reservoirs exploiting oxidative stress ISTITUTO SUPERIORE DI SANITA (IT) 2014-07-22 US disclosed
US-20110305774-A1 TREATMENT OF RETROVIRAL RESERVOIRS EXPLOITING OXIDATIVE STRESS ISTITUTO SUPERIORE DI SANITA (IT) 2011-12-15 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-20110305774-A1 TREATMENT OF RETROVIRAL RESERVOIRS EXPLOITING OXIDATIVE STRESS TXNRD1, TXNRD3, TXNRD2 HDAC1 506/4885HDAC3 1358/4885HDAC8 1893/4885
US-20150024065-A1 TREATMENT OF RETROVIRAL RESERVOIRS EXPLOITING OXIDATIVE STRESS TXNRD1, TXNRD3, TXNRD2 HDAC1 506/4885HDAC3 1358/4885HDAC8 1893/4885

“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.