Sugi Predict

Sugi Predict / Compounds / SCHEMBL13636845

SCHEMBL13636845

SCHEMBL13636845

COc1ccc(Oc2c(I)cc(C(C)=O)cc2I)cc1[N+]#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ THRB P10828 6/20 0.37
▸ PCNA P12004 5/20 0.37
▸ THRA P10827 4/20 0.37
▸ POLB P06746 3/20 0.37
▸ HIF1A Q16665 3/20 0.37
▸ ABCB11 O95342 2/20 0.37
▸ GABRA1 P14867 2/20 0.37
▸ PPARG P37231 2/20 0.37
▸ GABRA2 P47869 2/20 0.37
▸ GABRB2 P47870 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ PGR P06401 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ HTR1A P08908 1/20 0.37

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
SCHEMBL4422896 0.82 TUBB4A (0.52) LMNAKMT2AMEN1THRBPCNA
SCHEMBL4426971 0.81 LMNA (0.48) LMNAKMT2AMEN1THRBPCNA
SCHEMBL4435036 0.81 LMNA (0.48) LMNAKMT2AMEN1THRBPCNA
SCHEMBL4431892 0.78 MAPT (0.48) PCNAHPGDMAPK1ALDH1A1MAPT
SCHEMBL13624845 0.78 MAPT (0.54) LMNAKMT2AMEN1HSD17B10TSHR
SCHEMBL4431883 0.77 ALDH1A1 (0.46) LMNAKMT2AMEN1POLBHPGD
SCHEMBL13624836 0.77 INPPL1 (0.46) LMNAKMT2ATHRBTHRABPTF
SCHEMBL13865891 0.76 TUBB4A (0.37) LMNAKMT2ATHRBTHRACYP1A2
SCHEMBL6723577 0.73 CA1 (0.54) LMNACYP1A2CYP2C9TSHRMAPK1
SCHEMBL13624849 0.73 TUBB4A (0.35) LMNAKMT2ATHRBTHRACYP1A2

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 5 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-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

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 1792/4885KMT2A 3530/4885MEN1 3420/4885
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF TUBB, TUBA1C, TUBB1 LMNA 1792/4885KMT2A 3530/4885MEN1 3420/4885

“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.