SCHEMBL10046464

SCHEMBL10046464

CCOc1ccc(C2=NCCN2C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
NPY2R P49146 1/20 0.44
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
CYP19A1 P11511 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 1/20 0.40
LTA4H P09960 1/20 0.40
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL522257 0.85 PTAFR (0.47) NPC1SMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL10046459 0.82 PTAFR (0.42) HPGDALDH1A1TP53CYP19A1CA1
SCHEMBL522530 0.82 CYP19A1 (0.41) HPGDALDH1A1TP53CYP19A1CA1
SCHEMBL10046463 0.79 OPRD1 (0.50) CYP19A1MEN1KMT2ANPSR1TSHR
SCHEMBL10046461 0.79 OPRL1 (0.45) NPC1HPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL522532 0.78 SLC6A3 (0.44) SMN1; SMN2ALDH1A1KDM4ECYP19A1CA1
SCHEMBL10046462 0.78 PTAFR (0.44) CA1CA2CA4CA7MEN1
SCHEMBL10046467 0.77 ALDH1A1 (0.42) HPGDALDH1A1TP53MEN1KMT2A
SCHEMBL10046469 0.75 CYP19A1 (0.47) NPC1SMN1; SMN2ALDH1A1CYP19A1MEN1
SCHEMBL522607 0.75 OPRK1 (0.43) ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 NPC1 536/4885NPY2R 2123/4885HPGD 3948/4885

“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.