SCHEMBL7944568

SCHEMBL7944568

CCC(C(=O)Nc1ccc(/C=C/C(=O)NO)cc1)c1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.60
HDAC8 Q9BY41 14/20 0.52
HDAC6 Q9UBN7 14/20 0.52
HDAC3 O15379 13/20 0.52
HDAC4 P56524 13/20 0.52
HDAC7 Q8WUI4 12/20 0.48
HDAC2 Q92769 12/20 0.48
HDAC10 Q969S8 12/20 0.48
HDAC11 Q96DB2 12/20 0.48
HDAC9 Q9UKV0 12/20 0.48
HDAC5 Q9UQL6 12/20 0.48
PLK1 P53350 1/20 0.45
EGFR P00533 1/20 0.44

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
SCHEMBL7945915 0.82 HDAC1 (0.73) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL7945896 0.80 HDAC1 (0.57) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL5020692 0.76 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1232897 0.74 HDAC1 (0.74) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1232899 0.74 HDAC1 (0.74) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL9987472 0.71 HDAC1 (0.74) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL7935110 0.71 HDAC1 (0.74) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3814616 0.71 HDAC1 (0.62) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL674308 0.71 HDAC1 (0.62) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL10827609 0.71 CYP2C9 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170157174-A1 TREATMENT OF RETROVIRAL RESERVOIRS EXPLOITING OXIDATIVE STRESS ISTITUTO SUPERIORE DI SANITA (IT) 2017-06-08 US disclosed
US-20170157174-A1 TREATMENT OF RETROVIRAL RESERVOIRS EXPLOITING OXIDATIVE STRESS ISTITUTO SUPERIORE DI SANITA (IT) 2017-06-08 US disclosed
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-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-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
WO-2010049182-A2 TREATMENT OF RETROVIRAL RESERVOIRS EXPLOITING OXIDATIVE STRESS ISTITUTO SUPERIORE DI SANITÁ (IT) 2010-05-06 WO 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 (3 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 506/4885HDAC8 1893/4885HDAC6 1260/4885
US-20170157174-A1 TREATMENT OF RETROVIRAL RESERVOIRS EXPLOITING OXIDATIVE STRESS TXNRD1, TXNRD3, TXNRD2 HDAC1 506/4885HDAC8 1893/4885HDAC6 1260/4885
US-20150024065-A1 TREATMENT OF RETROVIRAL RESERVOIRS EXPLOITING OXIDATIVE STRESS TXNRD1, TXNRD3, TXNRD2 HDAC1 506/4885HDAC8 1893/4885HDAC6 1260/4885

“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.