SCHEMBL7244775

SCHEMBL7244775

COc1cccc(-c2ccccc2[N+](=O)[O-])c1.COc1cccc(B(O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ CASP3 P42574 1/20 0.58
▸ SENP7 Q9BQF6 1/20 0.58
▸ ENPP2 Q13822 1/20 0.56
▸ EIF4E P06730 2/20 0.48
▸ KMT2A Q03164 6/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ FBP1 P09467 2/20 0.46
▸ GAA P10253 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ MAOB P27338 1/20 0.40

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
SCHEMBL2957169 0.88 NPC1 (0.70) NPC1RAB9ACASP3SENP7EIF4E
SCHEMBL30785680 0.88 NPC1 (0.70) NPC1RAB9ACASP3SENP7EIF4E
SCHEMBL28060965 0.78 ENPP2 (0.85) ENPP2MAOB
SCHEMBL27292647 0.78 RAB9A (0.60) NPC1RAB9ACASP3SENP7EIF4E
SCHEMBL28019722 0.77 NPC1 (0.56) NPC1RAB9ACASP3SENP7EIF4E
SCHEMBL3491442 0.77 NPC1 (0.58) NPC1RAB9ACASP3SENP7EIF4E
SCHEMBL2961408 0.75 ALDH1A1 (0.65) NPC1RAB9ACASP3SENP7EIF4E
SCHEMBL227679 0.75 PTGS2 (0.58) NPC1RAB9ACASP3SENP7EIF4E
SCHEMBL5140 0.75 ENPP2 (1.00) NPC1RAB9AENPP2ALDH1A1
SCHEMBL7344145 0.75 ENPP2 (1.00) NPC1RAB9AENPP2ALDH1A1

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-6534506-B2 For therapy of cancer, neurofibromin benign proliferative disorder; blindness related to retinal vascularization; infections from hepatitis delta and related viruses; prophylaxis of restenosis; polycystic kidney disease MERCK & CO., INC. 2003-03-18 — — US disclosed
US-20020123497-A1 Inhibitors of prenyl-protein transferase MERCK SHARP & DOHME CORP. 2002-09-05 — — 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 (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-20020123497-A1 Inhibitors of prenyl-protein transferase FNTA, KRAS, NRAS NPC1 197/4885RAB9A 430/4885CASP3 4279/4885

“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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