Sugi Predict

Sugi Predict / Compounds / SCHEMBL3422677

SCHEMBL3422677

SCHEMBL3422677

O=C(O)c1ccc(I)cc1Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 12/20 0.60
▸ AKR1C2 P52895 12/20 0.60
▸ MAPT P10636 1/20 0.60
▸ GFER P55789 1/20 0.60
▸ NGLY1 Q96IV0 1/20 0.60
▸ FABP4 P15090 1/20 0.59
▸ GRIK1 P39086 2/20 0.49
▸ MAP2K1 Q02750 1/20 0.48
▸ CTSV O60911 1/20 0.48
▸ CTSL P07711 1/20 0.48
▸ PTGS1 P23219 2/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ TAS2R14 Q9NYV8 1/20 0.47
▸ TTR P02766 1/20 0.46
▸ AKR1B10 O60218 1/20 0.46
▸ AKR1B1 P15121 1/20 0.46
▸ AKR1C4 P17516 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46
▸ PTPRC P08575 1/20 0.46
▸ PTPN2 P17706 1/20 0.46

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
SCHEMBL14392471 0.85 MAP2K1 (0.51) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL874936 0.85 MAPT (0.47) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL27716600 0.84 MAPT (0.67) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL28472949 0.82 AKR1C3 (0.64) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL351705 0.81 MAPT (0.79) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL2476797 0.81 MAPT (0.63) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL5680799 0.81 FABP4 (0.71) AKR1C3AKR1C2MAPTFABP4PTGS1
SCHEMBL9172301 0.80 MAPT (0.76) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL9515604 0.79 GRIK1 (0.69) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL848085 0.79 AKR1C3 (0.60) AKR1C3AKR1C2MAPTGFERNGLY1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222381-A1 Cyclopentathiophene/cyclohexathiophene DNA methyltransferase inhibitors VANKAYALAPATI HARIPRASAD 2010-09-02 — — US disclosed
WO-2010098866-A1 CYCLOPENTATHIOPHENE/CYCLOHEXATHIOPHENE DNA METHYLTRANSFERASE INHIBITORS SUPERGEN, INC. (US) 2010-09-02 — — WO disclosed
EP-0993437-B1 2-(4-BROMO OR 4-IODO PHENYLAMINO) BENZOIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2006-11-08 — — EP disclosed
US-7078438-B2 N-(4 substituted phenyl)-anthranilic acid hydroxamate esters WARNER-LAMBERT COMPANY (US) 2006-07-18 — — US disclosed
US-7019033-B2 2-(4-bromo or 4-iodo phenylamino) benzoic acid derivatives WARNER-LAMBERT COMPANY (US) 2006-03-28 — — US disclosed
US-7019033-B2 2-(4-bromo or 4-iodo phenylamino) benzoic acid derivatives WARNER-LAMBERT COMPANY (US) 2006-03-28 — — US disclosed
US-6972298-B2 Method of treating or inhibiting neutrophil chemotaxis by administering a MEK inhibitor WARNER-LAMBERT COMPANY (US) 2005-12-06 — — US disclosed
EP-1140291-B1 COMBINATION CHEMOTHERAPY COMPRISING A MITOTIC INHIBITOR AND A MEK INHIBITOR WARNER LAMBERT CO (US) 2005-11-23 — — EP disclosed
US-20050137263-A1 N-(4 substituted phenyl)-anthranilic acid hydroxamate esters WARNER-LAMBERT COMPANY, LLC 2005-06-23 — — US disclosed
US-6891066-B2 N-(4-substituted phenyl)-anthranilic acid hydroxamate esters WARNER-LAMBERT COMPANY (US) 2005-05-10 — — US disclosed
WO-2001005392-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 — — WO disclosed
WO-2000037141-A9 COMBINATION CHEMOTHERAPY WARNER LAMBERT CO (US) 2000-12-07 — — WO disclosed
WO-2000040235-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 — — WO disclosed
WO-2000040237-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 — — WO disclosed
WO-2000037141-A1 COMBINATION CHEMOTHERAPY WARNER-LAMBERT COMPANY (US) 2000-06-29 — — WO disclosed
WO-2000035435-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2000-06-22 — — WO disclosed
WO-2000035436-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-06-22 — — WO disclosed
EP-0993437-A1 2-(4-BROMO OR 4-IODO PHENYLAMINO) BENZOIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-04-19 — — EP disclosed
WO-1999001421-A1 2-(4-BROMO OR 4-IODO PHENYLAMINO) BENZOIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-01-14 — — WO disclosed
WO-1998037881-A1 METHOD OF TREATING OR PREVENTING SEPTIC SHOCK BY ADMINISTERING A MEK INHIBITOR WARNER LAMBERT COMPANY (US) 1998-09-03 — — 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-20100222381-A1 Cyclopentathiophene/cyclohexathiophene DNA methyltransferase inhibitors DNMT3B, DNMT1, DNMT3L AKR1C3 1336/4885AKR1C2 1621/4885MAPT 1024/4885
US-20050137263-A1 N-(4 substituted phenyl)-anthranilic acid hydroxamate esters PAH, EGLN3, PAOX AKR1C3 481/4885AKR1C2 592/4885MAPT 4612/4885

“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.