SCHEMBL6015376

SCHEMBL6015376

Cn1cnc(C=CC(=O)O)c1.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
TBXAS1 P24557 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HCAR2 Q8TDS4 2/20 0.34
HDAC3 O15379 1/20 0.34
TNKS O95271 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL6015374 1.00 HDAC1 (0.51) HDAC1HDAC2ALDH1A1GAAKDM4E
SCHEMBL3803230 0.98 HDAC1 (0.52) HDAC1HDAC2ALDH1A1GAAKDM4E
SCHEMBL7757786 0.98 HDAC1 (0.52) HDAC1HDAC2ALDH1A1GAAKDM4E
SCHEMBL2073331 0.98 HDAC1 (0.52) HDAC1HDAC2ALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL8457836 0.96 HDAC1 (0.51) HDAC1HDAC2ALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL8457834 0.96 HDAC1 (0.51) HDAC1HDAC2ALDH1A1GAAKDM4E
SCHEMBL14619953 0.84 HDAC1 (0.52) HDAC1HDAC2ALDH1A1GAAKDM4E
SCHEMBL1310629 0.79 HDAC1 (0.52) HDAC1HDAC2ALDH1A1GAAKDM4E
SCHEMBL14587959 0.79 HDAC1 (0.49) HDAC1HDAC2
SCHEMBL15328886 0.79 HDAC1 (0.49) HDAC1HDAC2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439885-B1 SIMPLIFIED SARCODICTYN DERIVATIVES AS ANTI-TUMOR AGENTS PFIZER ITALIA SRL (IT) 2006-08-30 EP disclosed
US-20050038112-A1 Simplified sarcondictyn derivatives as anti-tumor agents UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2005-02-17 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-20050038112-A1 Simplified sarcondictyn derivatives as anti-tumor agents STOM, TTN, TNNC1 HDAC1 2064/4885HDAC2 1309/4885ALDH1A1 4490/4885

“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.