SCHEMBL209936

SCHEMBL209936

N#Cc1cc(Cc2ccc(C(=O)N(N)c3ccccc3)cc2)sc1NC(=O)OCCN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.41
ALDH1A1 P00352 3/20 0.38
LTA4H P09960 1/20 0.38
BCHE P06276 2/20 0.36
ESR1 P03372 2/20 0.36
ACHE P22303 1/20 0.36
KMT2A Q03164 2/20 0.36
HDAC1 Q13547 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.35
AURKA O14965 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35

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
SCHEMBL212292 0.84 MAP2K1 (0.40) MAP2K1ALDH1A1BCHEACHEKMT2A
SCHEMBL209935 0.83 HDAC1 (0.53) MAP2K1ALDH1A1HDAC1
SCHEMBL2759555 0.76 MAP2K1 (0.46) MAP2K1ALDH1A1KMT2AATMMEN1
SCHEMBL2733030 0.71 MAP2K1 (0.44) MAP2K1BCHEKMT2AATMMEN1
SCHEMBL212261 0.70 MAP2K1 (0.42) MAP2K1ALDH1A1KMT2AATMMEN1
SCHEMBL14424492 0.69 MAP2K1 (0.43) MAP2K1KMT2AATMMEN1
SCHEMBL4579714 0.68 HDAC1 (0.44) KMT2AHDAC1KDR
SCHEMBL212291 0.68 HDAC1 (0.48) MAP2K1ALDH1A1KMT2AHDAC1MEN1
SCHEMBL1063153 0.66 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1
SCHEMBL10272799 0.65 KDM4E (0.41) MAP2K1ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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 (2 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 MAP2K1 2027/4885ALDH1A1 680/4885LTA4H 3187/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 MAP2K1 2120/4885ALDH1A1 758/4885LTA4H 2580/4885

“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.