SCHEMBL6962405

SCHEMBL6962405

O=Cc1ccccc1OCn1nnc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.51
▸ RAB9A P51151 6/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SLC9A1 P19634 5/20 0.46
▸ MAPT P10636 2/20 0.46
▸ POLB P06746 1/20 0.44
▸ GRM2 Q14416 1/20 0.44
▸ EGLN3 Q9H6Z9 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MGAM O43451 1/20 0.43
▸ AMY1A P0DUB6 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL914790 0.85 NPC1 (0.52) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL28762198 0.79 SLC9A1 (0.54) NPC1RAB9ASLC9A1MAPTPOLB
SCHEMBL3463660 0.74 SLC9A1 (0.57) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL13604210 0.74 MGAM (0.54) NPC1RAB9AKMT2AHPGDSLC9A1
SCHEMBL6958869 0.72 NPC1 (0.45) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL15871991 0.71 POLB (0.77) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL7127560 0.71 NPC1 (0.43) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL5017651 0.71 SLC9A1 (0.59) NPC1RAB9AALDH1A1SLC9A1MAPT
SCHEMBL2488643 0.71 SLC9A1 (0.65) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL6039571 0.71 SLC9A1 (0.59) NPC1RAB9AALDH1A1SLC9A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 — — US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 — — US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 — — US disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 — — 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 (2 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 NPC1 1206/4885RAB9A 389/4885LMNA 4664/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 NPC1 1171/4885RAB9A 389/4885LMNA 4670/4885

“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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