SCHEMBL483100

SCHEMBL483100

N=C(N)c1ccc(Oc2ccc(C(=N)N)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 8/20 1.00
F2 P00734 7/20 1.00
PLAU P00749 2/20 1.00
F10 P00742 3/20 0.76
FURIN P09958 1/20 0.76
PRSS1 P07477 9/20 0.73
PRSS2 P07478 4/20 0.73
PRSS3 P35030 4/20 0.73
TMPRSS2 O15393 1/20 0.61
PRMT1 Q99873 1/20 0.59

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
SCHEMBL17084494 1.00 ST14 (1.00) ST14F2PLAUF10FURIN
SCHEMBL3085721 0.91 F2 (0.83) ST14F2PLAUF10FURIN
SCHEMBL19286912 0.91 ST14 (0.83) ST14F2PLAUF10FURIN
SCHEMBL13270794 0.89 ST14 (0.79) ST14F2PLAUF10FURIN
SCHEMBL20364177 0.89 ST14 (0.79) ST14F2PLAUF10FURIN
SCHEMBL6579180 0.87 F2 (1.00) ST14F2PLAUF10FURIN
SCHEMBL851834 0.85 ST14 (1.00) ST14F2PLAUF10FURIN
SCHEMBL14519335 0.84 F2 (0.72) ST14F2PLAUF10FURIN
SCHEMBL537030 0.83 LMNA (0.77) ST14F2PLAUF10PRSS1
SCHEMBL3791103 0.82 ST14 (1.00) ST14F2PLAUF10FURIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11299519-B2 Host cells and methods using a repressor polypeptide and an inducible promoter for gene expression THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-12 US claimed
US-20200262875-A1 Host cells and methods using a repressor polypeptide and an inducible promoter for gene expression THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-20 US claimed
US-20090131342-A1 Nitrosated and/or nitrosylated compounds, compositions and methods of use NITROMED, INC. (US) 2009-05-21 US claimed
US-20070099906-A1 Combinations for the treatment of noeplastic disorders COMBINATORX, INC. 2007-05-03 US claimed
EP-1732527-A2 USE AND ADMINISTRATION OF BACTERIAL EFFLUX PUMP INHIBITORS MPEX PHARMACEUTICALS, INC. (US) 2006-12-20 EP claimed
US-20060276473-A1 Use and administration of bacterial efflux pump inhibitors REMPEX PHARMACEUTICALS, INC. 2006-12-07 US claimed
EP-1651211-A4 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX INC (US) 2006-11-22 EP claimed
EP-1718286-A2 NITROSATED AND/OR NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2006-11-08 EP claimed
EP-1651211-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2006-05-03 EP claimed
WO-2005089738-A2 USE AND ADMINISTRATION OF BACTERIAL EFFLUX PUMP INHIBITORS MPEX PHARMACEUTICALS, INC. (US) 2005-09-29 WO claimed
EP-1339399-A2 COMBINATIONS OF DRUGS (E.G., CHLORPROMAZINE AND PENTAMIDINE) FOR THE TREATMENT OF NEOPLASTIC DISORDERS Combinatorx, Incorporated (US) 2003-09-03 EP claimed
US-20030105066-A1 Nitrate salts of antimicrobial agents NICOX S.A. (FR) 2003-06-05 US claimed
EP-1309354-A2 THERAPEUTIC POLYESTERS AND POLYAMIDES Rutgers, The State University (US) 2003-05-14 EP claimed
US-20020165261-A1 Combinations of drugs (e.g., a benzimidazole and pentamidine) for the treatment of neoplastic disorders ZALICUS INC. 2002-11-07 US claimed
EP-1253924-A1 NITRATE SALTS OF ANTIMICROBIAL AGENTS NICOX S.A. (FR) 2002-11-06 EP claimed
WO-2002058684-A2 COMBINATIONS OF DRUGS (E.G., CHLORPROMAZINE AND PENTAMIDINE) FOR THE TREATMENT OF NEOPLASTIC DISORDERS COMBINATORX, INCORPORATED (US) 2002-08-01 WO claimed
WO-2002058697-A1 COMBINATIONS OF DRUGS (E.G., A BENZIMIDAZOLE AND PENTAMIDINE) FOR THE TREATMENT OF NEOPLASTIC DISORDERS COMBINATORX, INCORPORATED (US) 2002-08-01 WO claimed
US-20020071822-A1 Therapeutic polyesters and polyamides POLYMERIX CORPORATION 2002-06-13 US claimed
WO-2002009768-A2 THERAPEUTIC POLYESTERS AND POLYAMIDES RUTGERS, THE STATE UNIVERSITY (US) 2002-02-07 WO claimed
WO-2001054691-A1 NITRATE SALTS OF ANTIMICROBIAL AGENTS NICOX, S.A. (FR) 2001-08-02 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20020165261-A1 Combinations of drugs (e.g., a benzimidazole and pentamidine) for the treatment of neoplastic disorders DHFR, DPYD, VHL ST14 1069/4885F2 2251/4885PLAU 739/4885
US-20090131342-A1 Nitrosated and/or nitrosylated compounds, compositions and methods of use LTC4S, LTB4R2, LTB4R ST14 3481/4885F2 2627/4885PLAU 2859/4885
US-20060276473-A1 Use and administration of bacterial efflux pump inhibitors ABCB11, ABCC1, ABCB1 ST14 2585/4885F2 4870/4885PLAU 2604/4885
US-20070099906-A1 Combinations for the treatment of noeplastic disorders NOP56, XPOT, NPM1 ST14 2830/4885F2 2263/4885PLAU 1572/4885
US-20020071822-A1 Therapeutic polyesters and polyamides NPEPPS, PAICS, PUF60 ST14 387/4885F2 964/4885PLAU 171/4885
US-20030105066-A1 Nitrate salts of antimicrobial agents NOS1, NOS3, NOS2 ST14 2219/4885F2 4461/4885PLAU 2887/4885

“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.