SCHEMBL1681450

SCHEMBL1681450

Oc1ccc(-c2noc(-c3ccnc(Br)c3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.50
▸ S1PR1 P21453 7/20 0.50
▸ RAB9A P51151 7/20 0.50
▸ S1PR3 Q99500 2/20 0.49
▸ MAPT P10636 4/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ NFKB1 P19838 2/20 0.45
▸ NFKB2 Q00653 2/20 0.45
▸ RELA Q04206 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL13453345 0.84 S1PR1 (0.71) NPC1S1PR1RAB9AS1PR3MAPT
SCHEMBL1681421 0.81 RAB9A (0.68) NPC1S1PR1RAB9AS1PR3MAPT
SCHEMBL12270961 0.80 NPC1 (0.54) NPC1S1PR1RAB9AS1PR3MAPT
SCHEMBL3736895 0.79 NPC1 (0.72) NPC1S1PR1RAB9AS1PR3MAPT
SCHEMBL27955461 0.78 ESR1 (0.46) NPC1RAB9AMEN1KMT2A
SCHEMBL15706789 0.77 NR1H4 (0.71) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL27832067 0.75 NPC1 (0.55) NPC1S1PR1RAB9AS1PR3MAPT
SCHEMBL3061782 0.74 NR1H4 (0.78) NPC1S1PR1RAB9AMAPTSMN1; SMN2
SCHEMBL2062609 0.74 NR1H4 (0.78) NPC1S1PR1RAB9AMAPTSMN1; SMN2
SCHEMBL19244915 0.72 ACHE (0.57) NPC1S1PR1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120263646-A1 IMAGING AGENTS AND THEIR USE FOR THE DIAGNOSTIC IN VIVO OF NEURODEGENERATIVE DISEASES, NOTABLY ALZHEIMER'S DISEASE AND DERIVATIVE DISEASES GUERBET (FR) 2012-10-18 — — US disclosed
EP-2501696-A2 IMAGING AGENTS AND THEIR USE FOR THE DIAGNOSTIC IN VIVO OF NEURODEGENERATIVE DISEASES, NOTABLY ALZHEIMER'S DISEASE AND DERIVATIVE DISEASES Guerbet (FR) 2012-09-26 — — EP disclosed
WO-2011045415-A2 NEW IMAGING AGENTS AND THEIR USE FOR THE DIAGNOSTIC IN VIVO OF NEURODEGENERATIVE DISEASES, NOTABLY ALZHEIMER'S DISEASE AND DERIVATIVE DISEASES GUERBET (FR) 2011-04-21 — — 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-20120263646-A1 IMAGING AGENTS AND THEIR USE FOR THE DIAGNOSTIC IN VIVO OF NEURODEGENERATIVE DISEASES, NOTABLY ALZHEIMER'S DISEASE AND DERIVATIVE DISEASES SNCA, PSEN2, CLN6 NPC1 30/4885S1PR1 1211/4885RAB9A 496/4885

“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.

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