SCHEMBL4496630

SCHEMBL4496630

O=C1N=C(Cc2ccccc2)CN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.46
PARP1 P09874 1/20 0.41
AR P10275 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
DHFR P00374 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CALM1 P0DP23 1/20 0.39
DAO P14920 2/20 0.39
MAOA P21397 1/20 0.38

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
SCHEMBL24104953 0.75 TAAR1 (0.39) SORT1TAAR1LMNACYP1A2ADRA2A
SCHEMBL6604537 0.67 SORT1 (0.46) SORT1LMNACYP1A2DHFRCALM1
SCHEMBL11685926 0.67 DHFR (0.52) SORT1CYP1A2DHFRCALM1DAO
SCHEMBL4462633 0.67 AXL (0.50) SORT1PARP1ARTAAR1LMNA
SCHEMBL31541476 0.64 SORT1 (0.47) SORT1PARP1ARLMNACYP1A2
SCHEMBL28984179 0.64 TAAR1 (0.46) SORT1PARP1ARTAAR1LMNA
SCHEMBL10733624 0.63 CALM1 (0.50) SORT1PARP1ARCYP1A2CALM1
SCHEMBL11963994 0.63 SORT1 (1.00) SORT1PARP1ARTAAR1LMNA
SCHEMBL2479409 0.63 CALM1 (0.44) SORT1PARP1ARTAAR1LMNA
SCHEMBL31411865 0.62 SORT1 (0.49) SORT1PARP1ARTAAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579481-B2 Method of making imidazole-2-ones and 2-thiones ALLERGAN, INC. (US) 2009-08-25 US disclosed
US-20070197795-A1 METHOD OF MAKING IMIDAZOLE-2-ONES AND 2-THIONES ALLERGAN, INC. 2007-08-23 US disclosed
WO-2007025271-A1 METHOD OF MAKING IMIDAZOLE-2-ONES AND 2-THIONES ALLERGAN, INC. (US) 2007-03-01 WO disclosed
US-4426446-A Leucocyte adherence inhibition assay for detection of cancer HOFFMANN-LA ROCHE INC. (US) 1984-01-17 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 (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-20070197795-A1 METHOD OF MAKING IMIDAZOLE-2-ONES AND 2-THIONES TPMT, TST, CPS1 SORT1 4266/4885PARP1 3286/4885AR 4450/4885

“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.