SCHEMBL7945896

SCHEMBL7945896

CCC(C(=O)Nc1ccc(/C=C/C(=O)NO)cc1)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.57
HDAC3 O15379 6/20 0.57
HDAC4 P56524 6/20 0.57
HDAC8 Q9BY41 6/20 0.57
HDAC6 Q9UBN7 6/20 0.57
CRHBP P24387 2/20 0.52
CRHR2 Q13324 2/20 0.52
HDAC7 Q8WUI4 5/20 0.49
HDAC2 Q92769 5/20 0.49
HDAC10 Q969S8 5/20 0.49
HDAC11 Q96DB2 5/20 0.49
HDAC9 Q9UKV0 5/20 0.49
HDAC5 Q9UQL6 5/20 0.49
EGFR P00533 1/20 0.49
ALDH1A1 P00352 1/20 0.47
UTS2R Q9UKP6 2/20 0.47
ROCK2 O75116 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
SCHEMBL7945915 0.86 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL7944568 0.80 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL12658950 0.74 CA12 (0.69) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL1232918 0.74 CA12 (0.69) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL10364182 0.74 HDAC1 (0.65) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL12426064 0.74 HDAC1 (0.65) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL7935110 0.74 HDAC1 (0.74) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL9987472 0.74 HDAC1 (0.74) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL7945910 0.73 HDAC1 (0.62) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL7936520 0.72 HDAC1 (0.64) HDAC1HDAC3HDAC4HDAC8HDAC6

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 506/4885HDAC3 1358/4885HDAC4 1381/4885
US-20170157174-A1 TREATMENT OF RETROVIRAL RESERVOIRS EXPLOITING OXIDATIVE STRESS TXNRD1, TXNRD3, TXNRD2 HDAC1 506/4885HDAC3 1358/4885HDAC4 1381/4885
US-20150024065-A1 TREATMENT OF RETROVIRAL RESERVOIRS EXPLOITING OXIDATIVE STRESS TXNRD1, TXNRD3, TXNRD2 HDAC1 506/4885HDAC3 1358/4885HDAC4 1381/4885

“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.