SCHEMBL2581515

SCHEMBL2581515

C[C@H](c1ccccc1)N(C)C(=O)c1cnc(N2CCNCC2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 7/20 0.47
OGA O60502 4/20 0.45
SNCA P37840 2/20 0.44
HDAC1 Q13547 4/20 0.42
PLAT P00750 1/20 0.42
HDAC3 O15379 5/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
OPRD1 P41143 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C18 P33260 1/20 0.40

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
SCHEMBL27879775 1.00 HDAC2 (0.47) HDAC2OGASNCAHDAC1PLAT
SCHEMBL2581011 0.82 CKS1B (0.46) HDAC2OGAHDAC1HDAC3HDAC4
SCHEMBL2578116 0.76 HDAC3 (0.47) HDAC2OGASNCAHDAC1HDAC3
SCHEMBL2575585 0.74 HDAC3 (0.45) HDAC2OGASNCAHDAC1HDAC3
SCHEMBL2146195 0.74 HDAC2 (0.52) HDAC2SNCAHDAC1HDAC3HDAC4
SCHEMBL4087186 0.70 SCD (0.51) HDAC2OGASNCAHDAC1HDAC3
SCHEMBL31474329 0.70 HDAC2 (0.56) HDAC2OGASNCAHDAC1HDAC3
SCHEMBL4092990 0.70 CRBN (0.55) HDAC2SNCAHDAC1HDAC3HDAC4
Hydrochloric Acid SCHEMBL29215320 0.69 HDAC2 (0.54) HDAC2OGASNCAHDAC1HDAC3
Hydrochloric Acid SCHEMBL2828121 0.69 HDAC2 (0.45) HDAC2SNCAHDAC1HDAC3HDAC4

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
US-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
CN-101228156-B Fungicidal carboxamides DU PONT 2012-07-18 CN disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 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 (1 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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 HDAC2 60/4885OGA 1191/4885SNCA 1775/4885

“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.