SCHEMBL712574

SCHEMBL712574

CCCCc1ccc2nn(-c3cc(C(C)(C)CC)cc(C(C)CC)c3O)nc2c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.34
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL29706556 0.92 RORC (0.36) RORCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6454940 0.92 RORC (0.36) RORCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29706624 0.89 RORC (0.35) RORCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL712013 0.89 RORC (0.35) RORCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29706523 0.86 MAPT (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL710817 0.86 MAPT (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL713026 0.85 RORC (0.40) RORCNPC1RAB9A
SCHEMBL5804791 0.84 NPC1 (0.43) RORCMAPTNPC1RAB9A
SCHEMBL708739 0.83 RORC (0.40) RORCNPC1RAB9A
SCHEMBL6710417 0.78 NPC1 (0.43) MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124626-B2 Methods of treating inflammations and infections with pyridinium salts MYCOSOL, INC. (US) 2012-02-28 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
US-20080009416-A1 THIAZOLIUM COMPOUNDS AND USES THEREOF MYCOSOL, INC. 2008-01-10 US disclosed
EP-1875654-A2 STILBAZIUM RESEARCH ASSAYS Mycosol, Inc. (US) 2008-01-09 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-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
US-5443909-A Heat sensitive recordin material; substrate, recording layer containing colorless basic dye and protective coatings KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1995-08-22 US disclosed
EP-0545442-B1 Microcapsule containing ultraviolet absorber and heat sensitive recording material using the same NEW OJI PAPER CO LTD (JP) 1995-04-05 EP disclosed
US-5272127-A Heat sensitive recording material using microcapsules containing ultraviolet absorber KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1993-12-21 US disclosed
EP-0545442-A1 Microcapsule containing ultraviolet absorber and heat sensitive recording material using the same NEW OJI PAPER CO., LTD. (JP) 1993-06-09 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 RORC 3841/4885TUBB4A 157/4885TUBB 121/4885
US-20040235898-A1 Compounds and methods for controlling fungi, bacteria and insects BLVRB, PNPO, PLPBP RORC 4211/4885TUBB4A 405/4885TUBB 255/4885
US-20080009416-A1 THIAZOLIUM COMPOUNDS AND USES THEREOF TST, TYR, THOP1 RORC 196/4885TUBB4A 224/4885TUBB 204/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT RORC 245/4885TUBB4A 866/4885TUBB 760/4885
US-20040224984-A1 Methods of treating inflammations and infections with pyridinium salts PNPO, PLPBP, TPMT RORC 245/4885TUBB4A 866/4885TUBB 760/4885

“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.