Sugi Predict

Sugi Predict / Compounds / SCHEMBL719445

SCHEMBL719445

SCHEMBL719445

Oc1ccc2[nH]nnc2c1-c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ ADK P55263 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ ACMSD Q8TDX5 1/20 0.37
▸ NSD2 O96028 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ HKDC1 Q2TB90 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ PTPN22 Q9Y2R2 1/20 0.35
▸ TYMP P19971 1/20 0.35
▸ NISCH Q9Y2I1 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ KDM6B O15054 1/20 0.34
▸ FTO Q9C0B1 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33

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
SCHEMBL719444 0.84 NSD2 (0.41) GSK3BADKCYP1A2NSD2OPRM1
SCHEMBL31625576 0.79 HPGD (0.39) CYP1A2MCL1KDM4E
SCHEMBL504322 0.79 HPGD (0.39) CYP1A2MCL1KDM4E
SCHEMBL17145024 0.79 BCHE (0.41) DHFRGSK3BADKCYP1A2KDM4E
SCHEMBL28925106 0.77 MEN1 (0.33) MCL1
SCHEMBL30772437 0.76 CYP1A2 (0.56) DHFRGSK3BADKCYP1A2MCL1
SCHEMBL29359068 0.75 CHEK1 (0.37) GSK3BCYP1A2
SCHEMBL80394 0.75 CHEK1 (0.37) GSK3BCYP1A2
SCHEMBL31502563 0.74 RAB9A (0.50) KDM4E
SCHEMBL6859042 0.74 RAB9A (0.50) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247571-B2 Pyridinium and thiazolium conjugates including polyethylene glycols and methods of using the same MYCOSOL, INC. (US) 2012-08-21 — — US disclosed
US-8124626-B2 Methods of treating inflammations and infections with pyridinium salts MYCOSOL, INC. (US) 2012-02-28 — — US disclosed
US-20110053987-A1 PYRIDINIUM AND THIAZOLIUM CONJUGATES INCLUDING POLYETHYLENE GLYCOLS AND METHODS OF USING THE SAME MYCOSOL, INC. 2011-03-03 — — US disclosed
US-7820696-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2010-10-26 — — US disclosed
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS KLEIN RICHARD B 2010-10-21 — — US disclosed
US-7547444-B1 Methods for controlling fungi and bacteria MYCOSOL, INC. (US) 2009-06-16 — — US disclosed
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA MYCOSOL, INC. 2009-05-28 — — US disclosed
EP-1601652-B1 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE MYCOSOL INC (US) 2008-07-30 — — EP disclosed
WO-2008088917-A2 METHODS OF USING PYRIDINIUM AND THIAZOLIUM COMPOUNDS AS REAGENTS, DIAGNOSTIC COMPOUNDS AND THERAPEUTIC AGENTS MYCOSOL, INC. (US) 2008-07-24 — — WO disclosed
EP-1830846-A4 THIAZOLIUM COMPOUNDS AND USES THEREOF MYCOSOL INC (US) 2008-07-02 — — EP disclosed
WO-2007056556-A2 POLYETHYLENE GLYCOL CONJUGATES OF PYRIDINIUM AND THIAZOLIUM COMPOUNDS AND METHODS OF USING THE SAME MYCOSOL, INC. (US) 2007-05-18 — — WO disclosed
WO-2007056340-A2 DISINFECTANT AND ANTISEPTIC PYRIDINIUM AND THIAZOLIUM COMPOUNDS AND METHODS OF USING THE SAME MYCOSOL, INC. (US) 2007-05-18 — — WO disclosed
WO-2006065942-A2 THIAZOLIUM COMPOUNDS AND USES THEREOF MYCOSOL, INC. (US) 2006-06-22 — — WO disclosed
EP-1601652-A2 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE Mycosol, Inc. (US) 2005-12-07 — — EP disclosed
US-20040235898-A1 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. 2004-11-25 — — US disclosed
US-20040224984-A1 Methods of treating inflammations and infections with pyridinium salts MYCOSOL, INC. 2004-11-11 — — US disclosed
WO-2004078136-A2 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE MYCOSOL, INC. (US) 2004-09-16 — — WO disclosed
EP-0164931-B1 PHOTOSENSITIVE MATERIALS AND IMAGING PROCESSES USING SUCH MATERIALS THE MEAD CORPORATION (US) 1990-10-03 — — EP disclosed
US-4576891-A REDUCTION OF SPECTRUM SENSITIVITY IN MOCROCAPSULES OVERLAPPING SEGMENTS THE MEAD CORPORATION (US) 1986-03-18 — — US disclosed
EP-0164931-A2 Photosensitive materials and imaging processes using such materials THE MEAD CORPORATION (US) 1985-12-18 — — EP 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 (5 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-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 DHFR 199/4885GSK3B 2573/4885ADK 1954/4885
US-20040235898-A1 Compounds and methods for controlling fungi, bacteria and insects BLVRB, PNPO, PLPBP DHFR 170/4885GSK3B 2917/4885ADK 2152/4885
US-20110053987-A1 PYRIDINIUM AND THIAZOLIUM CONJUGATES INCLUDING POLYETHYLENE GLYCOLS AND METHODS OF USING THE SAME PLPBP, PTPMT1, PNPO DHFR 19/4885GSK3B 3215/4885ADK 3796/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT DHFR 111/4885GSK3B 1989/4885ADK 1326/4885
US-20040224984-A1 Methods of treating inflammations and infections with pyridinium salts PNPO, PLPBP, TPMT DHFR 111/4885GSK3B 1989/4885ADK 1326/4885

“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.