SCHEMBL549141

SCHEMBL549141

Cc1c(-c2ccc(C(=N)N)cc2)oc(-c2ccc(C(=N)N)cc2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 9/20 1.00
▸ ALDH1A1 P00352 1/20 0.57
▸ TOP1 P11387 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ CASP1 P29466 1/20 0.57
▸ CASP7 P55210 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ PRMT1 Q99873 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ TOP2A P11388 1/20 0.55
▸ TOP2B Q02880 1/20 0.55
▸ MASP2 O00187 1/20 0.50
▸ PLAU P00749 1/20 0.50
▸ THPO P40225 1/20 0.50
▸ WDR5 P61964 1/20 0.50
▸ F2 P00734 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ PRSS3 P35030 1/20 0.48
▸ LMNA P02545 1/20 0.45

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
SCHEMBL13573621 0.91 NQO2 (0.83) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL13575267 0.88 NQO2 (0.78) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL6750104 0.84 NQO2 (0.72) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL19309697 0.78 NQO2 (0.61) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL27639231 0.78 NQO2 (0.64) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL394218 0.75 WDR5 (0.80) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL8973288 0.75 WDR5 (0.80) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL12348287 0.74 NQO2 (0.59) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL12348291 0.74 NQO2 (0.58) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL12461484 0.74 WDR5 (0.64) NQO2ALDH1A1TOP1HPGDCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms BORISY ALEXIS 2007-05-03 — — US claimed
EP-1545544-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2005-06-29 — — EP claimed
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2005-04-14 — — US claimed
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms COMINATORX, INCORPORATED 2005-03-10 — — US claimed
US-20040116407-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2004-06-17 — — US claimed
WO-2004006842-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 — — WO claimed
WO-2004006849-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 — — WO claimed
EP-0792271-B1 FURAN DERIVATIVES FOR INHIBITING PNEUMOCYSTIS CARINII PNEUMONIA, GIARDIA LAMBLIA AND CRYPTOSPORIDIUM PARVUM UNIV GEORGIA STATE RES FOUND (US) 2002-02-27 — — EP claimed
EP-0792271-A1 FURAN DERIVATIVES FOR INHIBITING PNEUMOCYSTIS CARINII PNEUMONIA, GIARDIA LAMBLIA AND CRYPTOSPORIDIUM PARVUM GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1997-09-03 — — EP claimed
US-5602172-A USING A 2,5-DIPHENYLFURAN COMPOUND THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-02-11 — — US claimed
WO-1996015126-A1 FURAN DERIVATIVES FOR INHIBITING PNEUMOCYSTIS CARINII PNEUMONIA, GIARDIA LAMBLIA AND CRYPTOSPORIDIUM PARVUM GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1996-05-23 — — WO claimed
CN-114736372-A Polyimide film and preparation method thereof 深圳市华科创智技术有限公司 2022-07-12 — — CN disclosed
US-10208308-B2 Matriptase inhibitors and uses thereof against orthomyxoviridae infections SOCPRA Sciences Sante et Humaines S.E.C. (CA) 2019-02-19 — — US disclosed
US-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS UNIVERSITE DE SHERBROOKE (CA) 2017-11-02 — — US disclosed
US-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS UNIVERSITE DE SHERBROOKE (CA) 2017-11-02 — — US disclosed
WO-2004006842-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 — — WO disclosed
WO-2004006849-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 — — WO disclosed
WO-2004002430-A2 COMBINATIONS FOR THE TREATMENT OF FUNGAL INFECTIONS COMBINATORX INCORPORATED (US) 2004-01-08 — — WO disclosed
EP-0792271-B1 FURAN DERIVATIVES FOR INHIBITING PNEUMOCYSTIS CARINII PNEUMONIA, GIARDIA LAMBLIA AND CRYPTOSPORIDIUM PARVUM UNIV GEORGIA STATE RES FOUND (US) 2002-02-27 — — EP disclosed
US-5602172-A USING A 2,5-DIPHENYLFURAN COMPOUND THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-02-11 — — 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 (5 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-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms ABCB1, SLCO1B3, SLCO1B1 NQO2 667/4885ALDH1A1 571/4885TOP1 68/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC NQO2 132/4885ALDH1A1 662/4885TOP1 145/4885
US-10208308-B2 Matriptase inhibitors and uses thereof against orthomyxoviridae infections MMP7, MATR3, ADAMTS1 NQO2 4186/4885ALDH1A1 3895/4885TOP1 3792/4885
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms TYMP, DPYD, DHFR NQO2 129/4885ALDH1A1 1543/4885TOP1 160/4885
US-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS MMP7, MATR3, ADAMTS1 NQO2 4186/4885ALDH1A1 3895/4885TOP1 3792/4885

“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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