SCHEMBL3533774

SCHEMBL3533774

Cc1ccc(Cc2cc[c]cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
SRD5A2 P31213 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
ACHE P22303 1/20 0.40
AGXT P21549 2/20 0.39
LTA4H P09960 1/20 0.39
ALDH1A1 P00352 3/20 0.37
DAO P14920 1/20 0.37
HTT P42858 1/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL1176609 0.87 ALDH1A1 (0.45) TDP1LTA4HALDH1A1HTTCYP3A4
SCHEMBL3678427 0.85 CYP1A2 (0.52) IDO1CYP1A2CYP2A6TAAR1TDP1
SCHEMBL1149394 0.84 IDO1 (0.58) IDO1SRD5A2CYP1A2CYP2A6TAAR1
SCHEMBL11410252 0.84 IDO1 (0.58) IDO1SRD5A2CYP1A2CYP2A6TAAR1
SCHEMBL320687 0.84 CALM1 (0.44) TDP1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL28137856 0.81 IDH1 (0.36) TDP1ACHEALDH1A1CYP3A4TSHR
SCHEMBL28715201 0.81 IGF1R (0.52) IDO1CYP1A2CYP2A6TAAR1ACHE
SCHEMBL12505677 0.81 CYP1A2 (0.48) IDO1CYP1A2CYP2A6TAAR1TDP1
SCHEMBL27767683 0.80 CYP2A6 (0.44) CYP2A6TAAR1TDP1ALDH1A1CYP3A4
SCHEMBL4573326 0.79 CHRM2 (0.53) IDO1ALDH1A1HTTCYP3A4MAPK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086960-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-03-05 EP disclosed
US-7741354-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2010-06-22 US disclosed
EP-2086960-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-08-12 EP disclosed
US-20080207715-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-08-28 US disclosed
WO-2008055950-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 WO disclosed
US-7217493-B2 acid-decomposable group-containing polysiloxane or polysilsesquioxane and a specific amount of an acid generator that generates a sulfonic acid, and an organic base; high sensitivity, high resolution and good line edge roughness FUJIFILM CORPORATION (JP) 2007-05-15 US disclosed
US-6858731-B1 Process for the preparation of pure stereoisomers of tetrahydrofolic acid esters salts and tetrahydrofolic acid by fractionated crystallization of tetrahydrofolic acid esters salts EPROVA AG (CH) 2005-02-22 US disclosed
US-20040229161-A1 Positive resist composition FUJI PHOTO FILM CO., LTD. 2004-11-18 US disclosed
US-20040077019-A1 Tagging compounds and process for use in aida libraries GSTACH HUBERT (AT) 2004-04-22 US disclosed
EP-1332135-A1 TAGGING COMPOUNDS AND PROCESS FOR USE IN AIDA LIBRARIES Novartis AG (CH) 2003-08-06 EP disclosed
WO-2002036575-A1 TAGGING COMPOUNDS AND PROCESS FOR USE IN AIDA LIBRARIES NOVARTIS AG (CH) 2002-05-10 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 (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-20080207715-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL IDO1 1566/4885SRD5A2 2554/4885CYP1A2 1366/4885

“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.