SCHEMBL2957169

SCHEMBL2957169

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

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.70
▸ RAB9A P51151 4/20 0.70
▸ CASP3 P42574 2/20 0.70
▸ SENP7 Q9BQF6 1/20 0.70
▸ ALDH1A1 P00352 5/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ EIF4E P06730 1/20 0.53
▸ GAA P10253 2/20 0.51
▸ FBP1 P09467 2/20 0.51
▸ HPGD P15428 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ MAOB P27338 2/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 2/20 0.46

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
SCHEMBL30785680 1.00 NPC1 (0.70) NPC1RAB9ACASP3SENP7ALDH1A1
SCHEMBL7244775 0.88 NPC1 (0.58) NPC1RAB9ACASP3SENP7ALDH1A1
SCHEMBL27292647 0.88 RAB9A (0.60) NPC1RAB9ACASP3SENP7ALDH1A1
SCHEMBL28019722 0.87 NPC1 (0.56) NPC1RAB9ACASP3SENP7ALDH1A1
SCHEMBL3491442 0.87 NPC1 (0.58) NPC1RAB9ACASP3SENP7ALDH1A1
SCHEMBL227679 0.85 PTGS2 (0.58) NPC1RAB9ACASP3SENP7ALDH1A1
SCHEMBL2970853 0.84 ALDH1A1 (0.54) NPC1RAB9ACASP3SENP7ALDH1A1
SCHEMBL2961408 0.82 ALDH1A1 (0.65) NPC1RAB9ACASP3SENP7ALDH1A1
SCHEMBL12472637 0.81 NPC1 (0.50) NPC1RAB9ACASP3SENP7ALDH1A1
SCHEMBL30115292 0.81 ALDH1A1 (0.52) NPC1RAB9ACASP3SENP7ALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603081-A Preparation method of N- (2- ((2- (3-methoxyphenoxy) phenyl) amino) -2-acetoxy) -1-naphthylamine 沈阳药科大学 2024-02-27 — — CN claimed
CN-117603081-A Preparation method of N- (2- ((2- (3-methoxyphenoxy) phenyl) amino) -2-acetoxy) -1-naphthylamine 沈阳药科大学 2024-02-27 — — CN disclosed
WO-2014111493-A1 SUBSTITUTED BENZIMIDAZOLYL PHOSPHINE COMPOUNDS AND A METHOD FOR DECARBOXYLATING CARBON-CARBON LINKING SALTIGO GMBH (DE) 2014-07-24 — — WO disclosed
WO-2014111493-A1 SUBSTITUTED BENZIMIDAZOLYL PHOSPHINE COMPOUNDS AND A METHOD FOR DECARBOXYLATING CARBON-CARBON LINKING SALTIGO GMBH (DE) 2014-07-24 — — WO disclosed
EP-2757106-A1 Substituted benzimidazole phosphine compounds and a method for decarboxylating carbon-carbon bond Saltigo GmbH (DE) 2014-07-23 — — EP disclosed
EP-2757106-A1 Substituted benzimidazole phosphine compounds and a method for decarboxylating carbon-carbon bond Saltigo GmbH (DE) 2014-07-23 — — EP disclosed
US-7772446-B2 Method for producing substituted biphenyls BASF SE (DE) 2010-08-10 — — US disclosed
EP-1856024-B1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF SE (DE) 2008-08-06 — — EP disclosed
US-20080183021-A1 Method for Producing Substituted Biphenyls BASF SE (DE) 2008-07-31 — — US disclosed
EP-1856024-A1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 — — EP disclosed
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
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 — — US disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 — — EP disclosed
US-6362380-B1 REACTING 2-NITROCHLOROBENZENE AND A BORONIC ACID ; PALLADIUM CATALYST BASF AKTIENGESELLSCHAFT (DE) 2002-03-26 — — US disclosed
EP-0888261-B1 PROCESS FOR PREPARING NITROBIPHENYLENE BASF AG (DE) 2001-11-28 — — EP disclosed
WO-2001077116-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-10-18 — — WO disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 — — WO disclosed
EP-0888261-A1 PROCESS FOR PREPARING NITROBIPHENYLENE BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 — — EP disclosed
WO-1997033846-A1 PROCESS FOR PREPARING NITROBIPHENYLENE BASF AKTIENGESELLSCHAFT (DE) 1997-09-18 — — 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 (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-20020123497-A1 Inhibitors of prenyl-protein transferase FNTA, KRAS, NRAS NPC1 197/4885RAB9A 430/4885CASP3 4279/4885
US-20080183021-A1 Method for Producing Substituted Biphenyls CBR3, DDT, HRH3 NPC1 1402/4885RAB9A 2713/4885CASP3 1347/4885

“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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