SCHEMBL522530

SCHEMBL522530

c1ccc(C2=NCCN2C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.41
PTAFR P25105 2/20 0.40
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTR2A P28223 2/20 0.38
KCNH2 Q12809 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD1 P21728 1/20 0.38
ADRA1D P25100 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
SCHEMBL10046459 0.97 PTAFR (0.42) CYP19A1PTAFRGAAPOLBALDH1A1
SCHEMBL10046467 0.91 ALDH1A1 (0.42) PTAFRGAAPOLBALDH1A1RECQL
SCHEMBL10046470 0.91 SLC6A3 (0.47) CYP19A1PTAFRALDH1A1MEN1KMT2A
SCHEMBL521671 0.89 PTAFR (0.45) PTAFRGAAPOLBALDH1A1RECQL
SCHEMBL522532 0.89 SLC6A3 (0.44) CYP19A1PTAFRALDH1A1MEN1KMT2A
SCHEMBL10046462 0.89 PTAFR (0.44) PTAFRMEN1KMT2AOPRM1DRD3
SCHEMBL10046472 0.87 OPRK1 (0.45) GAAALDH1A1RECQLMEN1KMT2A
SCHEMBL10046461 0.86 OPRL1 (0.45) PTAFRALDH1A1RECQLMEN1KMT2A
SCHEMBL10046463 0.86 OPRD1 (0.50) CYP19A1MEN1KMT2AKCNH2CYP2D6
SCHEMBL10046465 0.85 OPRM1 (0.44) CYP19A1OPRM1LMNAOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421836-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-29 EP claimed
US-20120029041-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-02 US claimed
WO-2010123150-A1 2-ARYL IMIDAZOLINE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-28 WO claimed
EP-2421836-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-29 EP disclosed
US-20120029041-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-02 US disclosed
US-20120029041-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-02 US disclosed
US-20120029041-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-02 US disclosed
WO-2010123150-A1 2-ARYL IMIDAZOLINE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-28 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-20120029041-A1 2-ARYL IMIDAZOLINE DERIVATIVES CLIC1, NAT1, NMRAL1 CYP19A1 234/4885PTAFR 4849/4885GAA 3768/4885

“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.