SCHEMBL13624846

SCHEMBL13624846

COc1ccc(B(O)O)cc1NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 7/20 0.48
HTT P42858 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 1/20 0.47
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 2/20 0.45
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CREBBP Q92793 1/20 0.43

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
SCHEMBL29953938 0.87 HSD17B1 (0.54) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL3790236 0.81 MAPT (0.47) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL1676565 0.81 GAA (0.45) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL6579496 0.78 SMN1; SMN2 (0.66) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL29451289 0.78 SMN1; SMN2 (0.66) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL10534559 0.78 PYGL (0.57) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL15279864 0.78 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL2088259 0.78 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL2502603 0.78 MAPT (0.71) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL5658638 0.77 KMT2A (0.53) KMT2AMEN1ALDH1A1HTTKDM4E

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-20090291924-A1 Drug design for tubulin inhibitors, compositions, and methods of treatment thereof BIPAR SCIENCES, INC. (US) 2009-11-26 US disclosed
US-7538252-B2 Drug design for tubulin inhibitors, compositions, and methods of treatment thereof BIPAR SCIENCES, INC. (US) 2009-05-26 US disclosed
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-03-27 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-20090291924-A1 Drug design for tubulin inhibitors, compositions, and methods of treatment thereof TUBB, TUBA1C, TUBB1 KMT2A 3530/4885MEN1 3420/4885ALDH1A1 3322/4885
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF TUBB, TUBA1C, TUBB1 KMT2A 3530/4885MEN1 3420/4885ALDH1A1 3322/4885

“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.