SCHEMBL13624845

SCHEMBL13624845

COc1ccc(Oc2c(I)cc(C(C)=O)cc2I)cc1NC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
ALDH1A1 P00352 2/20 0.54
HTT P42858 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 2/20 0.51
TP53 P04637 1/20 0.51
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
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
SCHEMBL13624847 0.91 MAPT (0.55) MAPTALDH1A1HTTKDM4EGAA
SCHEMBL4422896 0.82 TUBB4A (0.52) ALDH1A1GAAKMT2AMEN1MAPK1
SCHEMBL4426971 0.81 LMNA (0.48) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL4435036 0.81 LMNA (0.48) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL4431892 0.78 MAPT (0.48) MAPTALDH1A1MAPK1RAB9A
SCHEMBL2502603 0.78 MAPT (0.71) MAPTALDH1A1HTTKDM4EGAA
SCHEMBL13636845 0.78 LMNA (0.38) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL4431883 0.77 ALDH1A1 (0.46) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL13624836 0.77 INPPL1 (0.46) ALDH1A1GAATP53KMT2ALMNA
SCHEMBL14503083 0.76 CREBBP (0.67) MAPTALDH1A1HTTKDM4EGAA

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 7 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-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-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
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-03-27 US disclosed
WO-2008030892-A2 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-03-13 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-20090291924-A1 Drug design for tubulin inhibitors, compositions, and methods of treatment thereof TUBB, TUBA1C, TUBB1 MAPT 28/4885ALDH1A1 3322/4885HTT 1121/4885
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF TUBB, TUBA1C, TUBB1 MAPT 28/4885ALDH1A1 3322/4885HTT 1121/4885

“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.