SCHEMBL467454

SCHEMBL467454

Nc1ccc2oc(=O)ccc2c1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.44
▸ MAOA P21397 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ NCOA1 Q15788 1/20 0.41
▸ CYP2A6 P11509 6/20 0.40
▸ MAPT P10636 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ HPGD P15428 5/20 0.36
▸ CA12 O43570 4/20 0.36
▸ CA9 Q16790 4/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ CA1 P00915 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA3 P07451 2/20 0.36

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
SCHEMBL29478204 1.00 NQO1 (0.44) NQO1MAOAMAOBNCOA1CYP2A6
SCHEMBL6782718 0.77 MAOA (0.43) MAOAMAOBNCOA1CYP2A6MAPT
SCHEMBL14627838 0.77 NQO1 (0.44) NQO1MAOAMAOBNCOA1CYP2A6
SCHEMBL3860557 0.77 ALDH1A1 (0.44) MAOAMAOBNCOA1CYP2A6MAPT
SCHEMBL13891558 0.77 ALDH1A1 (0.50) NQO1MAOAMAOBNCOA1CYP2A6
SCHEMBL8247621 0.77 CYP2A6 (0.43) MAOAMAOBNCOA1CYP2A6ALDH1A1
SCHEMBL999261 0.74 CYP3A4 (0.42) MAOAMAOBNCOA1CYP2A6MAPT
SCHEMBL9479907 0.74 ALDH1A1 (0.41) NQO1MAOAMAOBCYP2A6MAPT
SCHEMBL998144 0.73 MAOA (0.40) MAOAMAOBNCOA1CYP2A6MAPT
SCHEMBL2670683 0.72 NQO1 (0.62) NQO1MAOAMAOBNCOA1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377985-B2 Treatment of cancer BIPAR SCIENCES, INC. (US) 2013-02-19 — — US claimed
EP-2387403-A1 METHOD OF TREATING CANCER Academisch Medisch Centrum bij de Universiteit van Amsterdam (NL) 2011-11-23 — — EP claimed
US-20110253692-A1 Electrical heater for vehicle windshields and windows SCHAUBLE RICHARD EGON 2011-10-20 — — US claimed
JP-2011500684-A — — 2011-01-06 — — JP claimed
CN-101903025-A Utilize benzopyrone-type PARP inhibitor for treating method for cancer and compositions BIPAR SCIENCES INC 2010-12-01 — — CN claimed
EP-2211854-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER USING BENZOPYRONE-TYPE PARP INHIBITORS BiPar Sciences, Inc. (US) 2010-08-04 — — EP claimed
WO-2010082821-A1 METHOD OF TREATING CANCER ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2010-07-22 — — WO claimed
WO-2010082813-A1 METHOD OF TREATING CANCER ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2010-07-22 — — WO claimed
EP-1009404-A4 METHODS FOR TREATING INFLAMMATION AND INFLAMMATORY DISEASES USING pADPRT INHIBITORS OCTAMER INC (US) 2009-07-01 — — EP claimed
US-20090149417-A1 Methods and compositions for the treatment of cancer using benzopyrone-type PARP inhibitors BIPAR SCIENCES, INC. 2009-06-11 — — US claimed
WO-2009051815-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER USING BENZOPYRONE-TYPE PARP INHIBITORS BIPAR SCIENCES, INC. (US) 2009-04-23 — — WO claimed
US-20080319054-A1 Treatment of Cancer BIPAR SCIENCES, INC. 2008-12-25 — — US claimed
EP-1009404-A1 METHODS FOR TREATING INFLAMMATION AND INFLAMMATORY DISEASES USING pADPRT INHIBITORS Octamer, Inc. (US) 2000-06-21 — — EP claimed
WO-1998051308-A1 METHODS FOR TREATING INFLAMMATION AND INFLAMMATORY DISEASES USING pADPRT INHIBITORS OCTAMER, INC. (US) 1998-11-19 — — WO claimed
EP-0533902-A1 A METHOD FOR INHIBITION OF RETROVIRAL REPLICATION OCTAMER, INC. (US) 1993-03-31 — — EP claimed
WO-1992018123-A2 A METHOD FOR INHIBITION OF RETROVIRAL REPLICATION OCTAMER, INC. (US) 1992-10-29 — — WO claimed
US-20250381221-A1 Compositions and Methods for Treating Cancer IN8BIO INC (US) 2025-12-18 — — US disclosed
US-20250161247-A1 METHOD FOR TREATING BREAST CANCERS AND PARP RESISTANT BREAST CANCERS LANTERN PHARMA INC. (US) 2025-05-22 — — US disclosed
WO-1992018123-A2 A METHOD FOR INHIBITION OF RETROVIRAL REPLICATION OCTAMER, INC. (US) 1992-10-29 — — WO disclosed
WO-1992006687-A1 NOVEL 5-IODO-6-AMINO-1,2-BENZOPYRONES AND THEIR ANALOGS USEFUL AS CYTOSTATIC AND ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-04-30 — — 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 (3 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-20250161247-A1 METHOD FOR TREATING BREAST CANCERS AND PARP RESISTANT BREAST CANCERS PARP1, PARP2, PARP3 NQO1 457/4885MAOA 2310/4885MAOB 2213/4885
US-20090149417-A1 Methods and compositions for the treatment of cancer using benzopyrone-type PARP inhibitors PARP1, PARP2, PARP3 NQO1 35/4885MAOA 1244/4885MAOB 802/4885
US-20080319054-A1 Treatment of Cancer PARP1, PARP2, PARP3 NQO1 55/4885MAOA 1717/4885MAOB 1577/4885

“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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