Sugi Predict

Sugi Predict / Compounds / SCHEMBL1673513

SCHEMBL1673513

SCHEMBL1673513

N#Cc1ccc(C(=O)C=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.57
▸ CA1 P00915 2/20 0.57
▸ P4HB P07237 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ GSK3B P49841 2/20 0.52
▸ MAPT P10636 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PARP15 Q460N3 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.47
▸ PARP2 Q9UGN5 1/20 0.47
▸ CA12 O43570 1/20 0.44
▸ CA3 P07451 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42

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
Water SCHEMBL10349944 1.00 CA2 (0.57) CA2CA1P4HBALDH1A1MAPK1
Water SCHEMBL11592742 0.83 ALDH1A1 (0.70) ALDH1A1MAPK1TDP1MAPTLMNA
Water SCHEMBL11592745 0.83 ALDH1A1 (0.70) ALDH1A1MAPK1TDP1MAPTLMNA
SCHEMBL5105673 0.81 ALDH5A1 (0.57) CA2CA1P4HBALDH1A1MAPK1
SCHEMBL222221 0.81 ALDH1A1 (0.74) ALDH1A1MAPK1TDP1MAPTLMNA
SCHEMBL10349912 0.78 ALDH1A1 (0.52) P4HBALDH1A1MAPK1TDP1GSK3B
SCHEMBL28627683 0.78 ALDH1A1 (0.52) CA2CA1P4HBALDH1A1MAPK1
SCHEMBL28128037 0.78 CA2 (0.52) CA2CA1P4HBALDH1A1GSK3B
SCHEMBL6758083 0.78 P4HB (0.58) CA2CA1P4HBALDH1A1TDP1
SCHEMBL19244970 0.78 P4HB (0.58) CA2CA1P4HBALDH1A1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 — — EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 — — WO disclosed
EP-2308854-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Sanofi-Aventis (FR) 2011-04-13 — — EP disclosed
EP-2305651-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2011-04-06 — — EP disclosed
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 — — US disclosed
WO-2002085369-A1 INHIBITORS OF ANTHRAX LETHAL FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS, INC. (US) 2002-10-31 — — WO disclosed
US-6436933-B1 1-HYDROXY-3-(2-METHYLPROPYL)-5,6-DIPHENYLHYDROPYRAZIN-2-ONE STRUCTURAL BIOINFORMATICS INC. 2002-08-20 — — US disclosed
US-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 — — US disclosed
US-5795889-A INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-08-18 — — US disclosed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 — — US disclosed
CN-1032648-C Process for preparation of platelet activating factor antagonist FIZER LTD (GB) 1996-08-28 — — CN disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 — — US disclosed
US-5053509-A Microbiocides; AIDS LABORATOIRE ROGER BELLON (FR) 1991-10-01 — — US disclosed
CN-1045783-A Diaza  class anti-allergy medicament PFIZER (US) 1990-10-03 — — CN disclosed
CN-1032439-A A kind of preparation method of platelet-activating factor antagonist PFIZER LTD (GB) 1989-04-19 — — CN 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 (1 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-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES CACNA1A, BMP4, TPX2 CA2 22/4885CA1 1465/4885P4HB 3825/4885

“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.