Sugi Predict

Sugi Predict / Compounds / SCHEMBL4422901

SCHEMBL4422901

SCHEMBL4422901

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 10/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ GAA P10253 1/20 0.42
▸ THRA P10827 7/20 0.39
▸ PCNA P12004 6/20 0.39
▸ LMNA P02545 4/20 0.39
▸ ABCB11 O95342 2/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ PPARG P37231 2/20 0.39
▸ GABRA2 P47869 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ HTR1A P08908 1/20 0.39

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
SCHEMBL5022997 0.91 THRB (0.39) THRBALDH1A1MEN1KMT2AMAPT
SCHEMBL5016597 0.90 ALDH1A1 (0.46) THRBALDH1A1MEN1KMT2AMAPT
SCHEMBL5024604 0.84 TUBB4A (0.50) THRBALDH1A1MEN1KMT2ATHRA
SCHEMBL5014840 0.82 PCNA (0.44) THRBALDH1A1THRAPCNALMNA
SCHEMBL5024605 0.80 TUBB4A (0.43) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL4435036 0.77 LMNA (0.48) THRBALDH1A1MEN1KMT2AMAPT
SCHEMBL4426971 0.77 LMNA (0.48) THRBALDH1A1MEN1KMT2AMAPT
SCHEMBL5023003 0.77 PCNA (0.45) THRBALDH1A1MEN1KMT2AMAPT
SCHEMBL13403404 0.74 PTGS2 (0.46) MEN1KMT2AGAAHTR2AHTR2B
SCHEMBL15938210 0.73 ALDH1A1 (0.76) THRBALDH1A1MEN1KMT2AMAPT

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 4 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
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 THRB 1704/4885ALDH1A1 3322/4885MEN1 3420/4885
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF TUBB, TUBA1C, TUBB1 THRB 1704/4885ALDH1A1 3322/4885MEN1 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.