SCHEMBL1900910

SCHEMBL1900910

COc1ccc([C@H](N)[C@@H](N)c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA12 O43570 1/20 0.58
CA14 Q9ULX7 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
TDP1 Q9NUW8 4/20 0.52
MAPK1 P28482 3/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TSHR P16473 1/20 0.52
SLC6A4 P31645 1/20 0.50
CYP3A4 P08684 1/20 0.50
AOC3 Q16853 3/20 0.48
SLC2A1 P11166 1/20 0.48
ACHE P22303 2/20 0.48
MAOA P21397 2/20 0.45

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
SCHEMBL591062 1.00 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL1900477 1.00 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL1305495 1.00 CA1 (0.58) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL14119724 0.97 CYP1A2 (0.55) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL19951722 0.97 CYP1A2 (0.55) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL30098259 0.97 CYP1A2 (0.55) CA1CA2CA7CA9CA12
SCHEMBL3253569 0.91 DPP4 (0.61) CA1CA2CA7CA9CA12
SCHEMBL10868139 0.91 TDP1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL10866506 0.91 TDP1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL13298408 0.91 DPP4 (0.61) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632917-B1 NOVEL PHASE TRANSFER CATALYSTS UNIV SINGAPORE (SG) 2016-04-20 EP disclosed
US-20130217889-A1 NOVEL PHASE TRANSFER CATALYSTS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-08-22 US disclosed
EP-2146986-B1 DIPHENYL-DIHYDRO-IMIDAZOPYRIDINONES HOFFMANN LA ROCHE (CH) 2011-06-29 EP disclosed
EP-1661903-B1 NOVEL TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL WITH THE COMPLEX TAKASAGO PERFUMERY CO LTD (JP) 2011-05-11 EP disclosed
US-7625895-B2 Diphenyl-dihydro-imidazopyridinones Hoffmann-Le Roche Inc. (US) 2009-12-01 US disclosed
US-7625895-B2 Diphenyl-dihydro-imidazopyridinones Hoffmann-Le Roche Inc. (US) 2009-12-01 US disclosed
US-7473793-B2 Transition metal (rhodium or ruthenium) complex of a bis(diaryl- or dialicyclylphosphinoaryl) compound and an optionally substituted 1,2-diphenylethylenediamine; hydrogenation catalysts for forming an assymetric alcohol from an assymetric ketone; high optical purity and high yield TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-01-06 US disclosed
WO-2008125487-A1 DIPHENYL-DIHYDRO-IMIDAZOPYRIDINONES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 WO disclosed
US-20080255119-A1 DIPHENYL-DIHYDRO-IMIDAZOPYRIDINONES DOMINIQUE ROMYR 2008-10-16 US disclosed
US-20080255119-A1 DIPHENYL-DIHYDRO-IMIDAZOPYRIDINONES DOMINIQUE ROMYR 2008-10-16 US disclosed
US-20080255119-A1 DIPHENYL-DIHYDRO-IMIDAZOPYRIDINONES DOMINIQUE ROMYR 2008-10-16 US disclosed
EP-1661903-A1 NOVEL TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL WITH THE COMPLEX Takasago International Corporation (JP) 2006-05-31 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 (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-20080255119-A1 DIPHENYL-DIHYDRO-IMIDAZOPYRIDINONES TP53, MDM2, TP53BP1 CA1 2762/4885CA2 3161/4885CA7 4315/4885
US-20130217889-A1 NOVEL PHASE TRANSFER CATALYSTS POLR2B, POLR1A, POLR2A CA1 2859/4885CA2 4151/4885CA7 2057/4885

“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.