SCHEMBL521510

SCHEMBL521510

Clc1ccccc1C1=NCCN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 3/20 0.46
HDAC4 P56524 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
SMARCA2 P51531 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
EDNRB P24530 1/20 0.37
HRH1 P35367 1/20 0.37
OPRM1 P35372 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
DNMT1 P26358 1/20 0.37
RAD52 P43351 1/20 0.37
UHRF1 Q96T88 1/20 0.37

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
SCHEMBL522530 0.79 CYP19A1 (0.41) PTAFRSLC6A3ADORA3HRH1OPRM1
SCHEMBL11188706 0.79 PTAFR (0.46) PTAFRHDAC4HDAC8HDAC5SLC6A2
SCHEMBL522532 0.79 SLC6A3 (0.44) PTAFRSLC6A2SLC6A4SLC6A3ADORA3
SCHEMBL10046465 0.78 OPRM1 (0.44) OPRM1
SCHEMBL10046470 0.78 SLC6A3 (0.47) PTAFRSLC6A2SLC6A4SLC6A3ADORA3
SCHEMBL10046459 0.76 PTAFR (0.42) PTAFRSLC6A3ADORA3HRH1OPRM1
SCHEMBL522353 0.75 PTAFR (0.47) PTAFRSLC6A3SMARCA2ADORA3OPRM1
SCHEMBL521671 0.73 PTAFR (0.45) PTAFROPRM1
SCHEMBL10046462 0.73 PTAFR (0.44) PTAFROPRM1
SCHEMBL10046467 0.72 ALDH1A1 (0.42) PTAFROPRM1

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 PTAFR 4849/4885HDAC4 723/4885HDAC8 546/4885

“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.