SCHEMBL3040337

SCHEMBL3040337

O=C(NCc1cccc(B(O)O)c1)C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
HPGD P15428 2/20 0.60
USP2 O75604 1/20 0.60
ERCC1 P07992 1/20 0.58
ERCC4 Q92889 1/20 0.58
HDAC6 Q9UBN7 1/20 0.49
PSMB5 P28074 1/20 0.48
WDR5 P61964 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
EPHX1 P07099 1/20 0.48
ALOX12 P18054 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ENPP2 Q13822 1/20 0.45

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
SCHEMBL3031683 0.94 ALDH1A1 (0.55) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL552530 0.82 ALDH1A1 (0.62) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL5392713 0.80 ALDH1A1 (0.68) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL17048526 0.80 ALDH1A1 (0.63) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL25976163 0.80 USP2 (0.63) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL14724835 0.79 ALDH1A1 (0.61) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL5523329 0.79 ALDH1A1 (0.61) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL13039162 0.79 SMN1; SMN2 (0.64) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL6244724 0.79 ALDH1A1 (0.93) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL15652182 0.78 ALDH1A1 (0.64) ALDH1A1HPGDUSP2ERCC1ERCC4

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-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 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 (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-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ALDH1A1 4068/4885HPGD 2430/4885USP2 1493/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 ALDH1A1 4068/4885HPGD 2430/4885USP2 1493/4885

“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.