SCHEMBL3500575

SCHEMBL3500575

CCc1ccccc1-c1nc(-c2cccc(OC)c2)n[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.68
NR1H3 Q13133 3/20 0.68
ADORA2A P29274 12/20 0.57
ADORA1 P30542 7/20 0.57
DCUN1D1 Q96GG9 1/20 0.48
TEK Q02763 1/20 0.46
GRK6 P43250 1/20 0.46
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALPL P05186 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL29366389 1.00 NR1H2 (0.68) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL5678433 0.90 NR1H2 (0.64) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL10476810 0.89 NR1H2 (0.67) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL11176066 0.89 NR1H2 (0.67) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL17280037 0.88 NR1H2 (0.50) NR1H2NR1H3ADORA2ANPC1TP53
SCHEMBL10476823 0.86 NR1H2 (0.59) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL11171315 0.84 NR1H2 (0.48) NR1H2NR1H3ADORA2AADORA1NPC1
SCHEMBL10476791 0.84 NR1H2 (0.73) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL11171303 0.83 NR1H2 (0.60) NR1H2NR1H3ADORA2ANPC1TP53
SCHEMBL11172345 0.82 NR1H2 (0.63) NR1H2NR1H3ADORA2AADORA1DCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4379155-A 3,5-Disubstituted-1H-1,2,4-triazole derivatives GRUPPO LEPETIT S.P.A. (IT) 1983-04-05 US claimed
US-20160369237-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECH INC (US) 2016-12-22 US disclosed
US-20100292231-A1 Indazole Compounds for Treating Inflammatory Disorders, Demyelinating Disorders and Cancers AJAMI ALFRED M 2010-11-18 US disclosed
US-20100292231-A1 Indazole Compounds for Treating Inflammatory Disorders, Demyelinating Disorders and Cancers AJAMI ALFRED M 2010-11-18 US disclosed
US-20100184033-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY Lineage Cell Therapeutics, Inc. 2010-07-22 US disclosed
US-20080226601-A1 Herpes Virus-Based Compositions and Methods of Use in the Prenatal and Perinatal Periods UNIVERSITY OF ROCHESTER (US) 2008-09-18 US disclosed
US-20080108641-A1 Compounds for treating inflammatory disorders, demyelinating disdorders and cancers XANTHUS PHARMACEUTICALS, INC. 2008-05-08 US disclosed
US-20080108641-A1 Compounds for treating inflammatory disorders, demyelinating disdorders and cancers XANTHUS PHARMACEUTICALS, INC. 2008-05-08 US disclosed
EP-1903873-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS THE UNIVERSITY OF ROCHESTER (US) 2008-04-02 EP disclosed
US-20080070303-A1 Using myocardial and/or muscle progenitor cells as modeling tool in tissue engineering; regenerative medicine and organ replacement ADVANCED CELL TECHNOLOGY 2008-03-20 US disclosed
WO-2007062198-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECHNOLOGY, INC. (US) 2007-05-31 WO disclosed
WO-2006135602-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS UNIVERSITY OF ROCHESTER (US) 2006-12-21 WO disclosed
US-RE38962-E1 Diphenyl-triazole derivatives and their use as anti-gestative immuno-suppressant and anti-tumoral agents GEANGE LTD. (IE) 2006-01-31 US disclosed
US-6333343-B1 HETEROCYCLIC, AROMATIC COMPOUNDS AND ANTITUMOR AGENTS GEANGE LTD. (IE) 2001-12-25 US disclosed
EP-0986544-A1 DIPHENYL-TRIAZOLE DERIVATIVES AND THEIR USE AS ANTI-GESTATIVE, IMMUNO-SUPPRESSANT AND ANTI-TUMORAL AGENTS Geange Ltd. (IE) 2000-03-22 EP disclosed
WO-1998055463-A1 DIPHENYL-TRIAZOLE DERIVATIVES AND THEIR USE AS ANTI-GESTATIVE, IMMUNO-SUPPRESSANT AND ANTI-TUMORAL AGENTS GEANGE LTD. (IE) 1998-12-10 WO disclosed
US-4888350-A ANTIFERTILITY AGENTS GRUPPO LEPETIT S.P.A. (IT) 1989-12-19 US disclosed
US-4459302-A CONTRACEPTIVES GRUPPO LEPETIT, S.P.A. (IT) 1984-07-10 US disclosed
US-4379155-A 3,5-Disubstituted-1H-1,2,4-triazole derivatives GRUPPO LEPETIT S.P.A. (IT) 1983-04-05 US disclosed
US-4370336-A OXYTOCICS GRUPPO LEPETIT S.P.A. (IT) 1983-01-25 US 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-20080108641-A1 Compounds for treating inflammatory disorders, demyelinating disdorders and cancers PMP22, PML, AQP4 NR1H2 705/4885NR1H3 764/4885ADORA2A 3884/4885
US-20100292231-A1 Indazole Compounds for Treating Inflammatory Disorders, Demyelinating Disorders and Cancers FLT3, CSF3R, CSF1R NR1H2 997/4885NR1H3 1191/4885ADORA2A 3576/4885

“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.