SCHEMBL3596410

SCHEMBL3596410

COC(=O)c1ccc2c(c1)N(C)C(C)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 5/20 0.44
KDM4E B2RXH2 5/20 0.44
ALOX15 P16050 3/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
CASP3 P42574 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
XDH P47989 1/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42

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
SCHEMBL28393820 0.72 CA1 (0.47) ALDH1A1HSD17B10KDM4EALOX15CASP1
SCHEMBL20888747 0.71 HDAC1 (0.40) HDAC1ALDH1A1HSD17B10KDM4ESMN1; SMN2
SCHEMBL8058129 0.71 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EALOX15CASP1
SCHEMBL21651799 0.71 MEN1 (0.53) ALDH1A1HSD17B10ALOX15CASP3SMN1; SMN2
SCHEMBL21606296 0.70 ALOX15 (0.58) HDAC1ALDH1A1HSD17B10KDM4EALOX15
SCHEMBL20571535 0.70 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4EALOX15CASP1
SCHEMBL12927456 0.69 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EALOX15CASP1
SCHEMBL21932308 0.69 LMNA (0.45) ALDH1A1HSD17B10ALOX15CASP3SMN1; SMN2
SCHEMBL21932485 0.69 LMNA (0.45) ALDH1A1HSD17B10ALOX15CASP3SMN1; SMN2
SCHEMBL21932259 0.69 LMNA (0.45) ALDH1A1HSD17B10ALOX15CASP3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
EP-2134713-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2009-12-23 EP disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 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 (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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 HDAC1 362/4885ALDH1A1 1430/4885HSD17B10 3024/4885

“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.