SCHEMBL4426971

SCHEMBL4426971

COc1ccc(Oc2c(I)cc(C(C)=O)cc2I)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
THRB P10828 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
TUBB1 Q9H4B7 3/20 0.45
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45
TUBA1B P68363 2/20 0.45
TUBA4A P68366 2/20 0.45
TUBB4B P68371 2/20 0.45
TUBB3 Q13509 2/20 0.45
TUBB2A Q13885 2/20 0.45
TUBB8 Q3ZCM7 2/20 0.45
TUBA3E Q6PEY2 2/20 0.45
TUBA1A Q71U36 2/20 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
SCHEMBL4435036 1.00 LMNA (0.48) LMNAALDH1A1HTTL3MBTL1THRB
SCHEMBL5022997 0.90 THRB (0.39) LMNAALDH1A1HTTL3MBTL1THRB
SCHEMBL4435044 0.89 ALDH1A1 (0.47) LMNAALDH1A1HTTL3MBTL1THRB
SCHEMBL4422896 0.85 TUBB4A (0.52) LMNAALDH1A1THRBMEN1KMT2A
SCHEMBL14277457 0.82 THRB (0.41) LMNAALDH1A1L3MBTL1THRBMEN1
SCHEMBL24750205 0.81 MAPT (0.59) LMNAALDH1A1HTTL3MBTL1THRB
SCHEMBL4431892 0.81 MAPT (0.48) ALDH1A1MAPTTUBB1TUBB4ATUBB
SCHEMBL13636845 0.81 LMNA (0.38) LMNAALDH1A1L3MBTL1THRBMEN1
SCHEMBL13624845 0.81 MAPT (0.54) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL5023003 0.80 PCNA (0.45) LMNAALDH1A1HTTL3MBTL1THRB

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 11 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-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-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
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
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 LMNA 1792/4885ALDH1A1 3322/4885HTT 1121/4885
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF TUBB, TUBA1C, TUBB1 LMNA 1792/4885ALDH1A1 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.