SCHEMBL13060962

SCHEMBL13060962

O=Cc1ccc(N2CCN(c3cccc(Br)c3)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MGLL Q99685 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
F10 P00742 2/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
HSD11B1 P28845 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL13185178 0.82 MEN1 (0.47) PRMT1MEN1KMT2ANPC1RAB9A
SCHEMBL3563201 0.79 MEN1 (0.44) PRMT1MEN1KMT2ANPC1RAB9A
SCHEMBL3551137 0.79 DRD2 (0.53) PRMT1MEN1KMT2ANPC1RAB9A
SCHEMBL3561594 0.76 DRD2 (0.41) PRMT1MEN1KMT2ANPC1RAB9A
SCHEMBL3562831 0.75 MEN1 (0.58) PRMT1MEN1KMT2ANPC1RAB9A
SCHEMBL3554080 0.74 CTSG (0.46) PRMT1MEN1KMT2ANPC1RAB9A
SCHEMBL3550218 0.73 RAB9A (0.55) PRMT1MEN1KMT2ANPC1RAB9A
SCHEMBL3552954 0.71 MAPT (0.50) MEN1KMT2AALDH1A1ATMALOX5
SCHEMBL3555541 0.71 DRD2 (0.48) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL17870929 0.69 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MGLLATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2010-12-16 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-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR2, S1PR5 PRMT1 1842/4885MEN1 1502/4885KMT2A 2067/4885

“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.