SCHEMBL8329059

SCHEMBL8329059

CCNC(=O)c1csc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.72
CYP2C19 P33261 2/20 0.72
CYP3A4 P08684 1/20 0.72
GAA P10253 1/20 0.72
HDAC3 O15379 1/20 0.66
HDAC4 P56524 1/20 0.66
HDAC1 Q13547 1/20 0.66
HDAC7 Q8WUI4 1/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC10 Q969S8 1/20 0.66
HDAC11 Q96DB2 1/20 0.66
HDAC8 Q9BY41 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
HDAC9 Q9UKV0 1/20 0.66
HDAC5 Q9UQL6 1/20 0.66
HPGD P15428 3/20 0.63
POLB P06746 1/20 0.63
SMN1; SMN2 Q16637 8/20 0.59
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 3/20 0.52

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
SCHEMBL10245146 0.85 SMN1; SMN2 (0.75) CYP1A2CYP2C19CYP3A4GAAHDAC3
SCHEMBL5163568 0.83 CYP1A2 (0.60) CYP1A2CYP2C19CYP3A4GAAHDAC3
SCHEMBL3578730 0.81 HDAC3 (0.72) CYP1A2CYP2C19CYP3A4GAAHDAC3
SCHEMBL12923812 0.81 HDAC3 (0.72) CYP1A2CYP2C19CYP3A4GAAHDAC3
SCHEMBL8330077 0.80 HDAC3 (0.60) CYP1A2CYP2C19CYP3A4GAAHDAC3
SCHEMBL7540393 0.78 HDAC3 (0.57) CYP1A2CYP2C19CYP3A4GAAHDAC3
SCHEMBL25463640 0.78 HDAC3 (0.72) CYP1A2CYP2C19CYP3A4GAAHDAC3
SCHEMBL31182037 0.78 HDAC3 (0.57) CYP1A2CYP2C19CYP3A4GAAHDAC3
SCHEMBL23984472 0.77 HDAC3 (0.66) CYP1A2CYP2C19CYP3A4GAAHDAC3
SCHEMBL15574339 0.77 ALDH1A1 (0.61) CYP1A2CYP2C19CYP3A4GAAHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023288242-A1 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-01-19 WO disclosed
US-9486497-B2 Treatment of immunocompromised conditions THE UNIVERSITY OF QUEENSLAND (AU) 2016-11-08 US disclosed
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2016-07-07 US disclosed
US-9254322-B2 Compositions comprising E-selectin antagonists and uses therefor THE UNIVERSITY OF QUEENSLAND (AU) 2016-02-09 US disclosed
EP-2249854-B1 TREATMENT OF IMMUNOCOMPROMISED CONDITIONS WITH E-SELECTIN ANTAGONIST AND G-CSF MATER MEDICAL RES INST (AU) 2015-01-21 EP disclosed
US-20110020270-A1 TREATMENT AND PROPHYLAXIS MATER MEDICAL RESEARCH INSTITUTE 2011-01-27 US disclosed
US-20110002881-A1 TREATMENT AND PROPHYLAXIS MATER MEDICAL RESEARCH INSTITUTE (AU) 2011-01-06 US disclosed
US-5994270-A CONTROLLING GAEUMANNOMYCES MONSANTO COMPANY (US) 1999-11-30 US disclosed
EP-0619297-B1 Fungicides for the control of take-all desease of plants MONSANTO CO (US) 1997-06-18 EP disclosed
EP-0619297-A1 Fungicides for the control of take-all desease of plants MONSANTO COMPANY (US) 1994-10-12 EP 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-20110020270-A1 TREATMENT AND PROPHYLAXIS SELP, SELE, SELL CYP1A2 3624/4885CYP2C19 3843/4885CYP3A4 4277/4885
US-20110002881-A1 TREATMENT AND PROPHYLAXIS SELP, SELE, SELPLG CYP1A2 2597/4885CYP2C19 2746/4885CYP3A4 3837/4885
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR SELL, SELP, SELE CYP1A2 3803/4885CYP2C19 4048/4885CYP3A4 3667/4885

“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.