SCHEMBL5376426

SCHEMBL5376426

Nc1ccc(NC(=O)NCCc2ccc(O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.63
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
EPHX1 P07099 1/20 0.55
KDM4E B2RXH2 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CA2 P00918 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA9 Q16790 1/20 0.53
MAPT P10636 1/20 0.53
F13A1 P00488 1/20 0.53
FPR2 P25090 3/20 0.52

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
SCHEMBL6966898 0.86 CA2 (0.70) CNR1RAB9ANPC1SMN1; SMN2EPHX1
SCHEMBL16857481 0.86 CNR1 (0.73) CNR1RAB9ANPC1SMN1; SMN2EPHX1
SCHEMBL19472639 0.85 CNR1 (0.60) CNR1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL19472643 0.85 CNR1 (0.76) CNR1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL19472655 0.85 CNR1 (0.88) CNR1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL19472696 0.85 CNR1 (0.76) CNR1RAB9ANPC1SMN1; SMN2EPHX1
SCHEMBL19472678 0.84 FPR2 (0.69) CNR1RAB9ANPC1SMN1; SMN2EPHX1
SCHEMBL4657957 0.84 CA2 (0.64) CNR1RAB9ANPC1SMN1; SMN2EPHX1
SCHEMBL19472616 0.83 KMT2A (0.60) CNR1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL19472646 0.82 CNR1 (0.60) CNR1RAB9ANPC1SMN1; SMN2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183319-B2 Phenylethylamine derivatives and their use in the treatment of melanoma RILEY PATRICK ANTHONY 2007-02-27 US disclosed
US-7183319-B2 Phenylethylamine derivatives and their use in the treatment of melanoma RILEY PATRICK ANTHONY 2007-02-27 US disclosed
US-7183319-B2 Phenylethylamine derivatives and their use in the treatment of melanoma RILEY PATRICK ANTHONY 2007-02-27 US disclosed
US-20040029967-A1 Phenylethylamine derivatives and their use in the treatment of melanoma RILEY PATRICK ANTHONY (GB) 2004-02-12 US disclosed
EP-1303481-A1 PHENYLETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF MELANOMA Riley, Patrick Anthony (GB) 2003-04-23 EP disclosed
WO-2002008174-A1 PHENYLETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF MELANOMA RILEY PATRICK ANTHONY (GB) 2002-01-31 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-20040029967-A1 Phenylethylamine derivatives and their use in the treatment of melanoma DOHH, DBH, HRH4 CNR1 121/4885RAB9A 2052/4885NPC1 2517/4885

“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.