SCHEMBL4453910

SCHEMBL4453910

N#Cc1ccc2c[nH]cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.48
▸ IMPDH1 P20839 1/20 0.48
▸ CYP2A6 P11509 1/20 0.44
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ SLC6A2 P23975 5/20 0.40
▸ SLC6A4 P31645 5/20 0.40
▸ SLC6A3 Q01959 3/20 0.40
▸ F2 P00734 1/20 0.40
▸ PLG P00747 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ PIN1 Q13526 1/20 0.39
▸ HTR3A P46098 1/20 0.38

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
SCHEMBL29489119 0.80 CYP2A6 (0.54) IMPDH2IMPDH1CYP2A6CA1CA2
SCHEMBL1344485 0.80 CYP2A6 (0.54) IMPDH2IMPDH1CYP2A6CA1CA2
SCHEMBL29489123 0.78 CYP2A6 (0.52) IMPDH2IMPDH1CYP2A6CA1CA2
SCHEMBL1341822 0.78 CYP2A6 (0.52) IMPDH2IMPDH1CYP2A6CA1CA2
SCHEMBL2005605 0.77 — —
SCHEMBL13074509 0.75 CYP2A6 (0.50) IMPDH2IMPDH1CYP2A6CA1CA2
SCHEMBL13037656 0.73 CA2 (0.55) IMPDH2IMPDH1CYP2A6CA1CA2
SCHEMBL29375458 0.73 CYP2A6 (0.50) IMPDH2IMPDH1CYP2A6CA1CA2
SCHEMBL22137620 0.73 CYP2A6 (0.50) IMPDH2IMPDH1CYP2A6CA1CA2
Water SCHEMBL1898776 0.71 CA1 (0.59) IMPDH2IMPDH1CYP2A6CA1CA2

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
EP-3089963-A1 2-BENZYL-BENZIMIDAZOLE COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-11-09 — — EP claimed
WO-2015066241-A1 2-BENZYL-BENZIMIDAZOLE COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-05-07 — — WO claimed
EP-2855456-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF Novartis AG (CH) 2015-04-08 — — EP claimed
WO-2013164802-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2013-11-07 — — WO claimed
CN-114072398-B Compounds that inhibit TDG activity 上海仕谱生物科技有限公司 2024-06-11 — — CN disclosed
US-20220213070-A1 COMPOUNDS INHIBITING TDG ACTIVITY Epitas Biosciences (shanghai) Co., Ltd. (CN) 2022-07-07 — — US disclosed
EP-3971180-A1 COMPOUNDS INHIBITING TDG ACTIVITY Epitas Biosciences (Shanghai) Co., Ltd. (CN) 2022-03-23 — — EP disclosed
CN-114072398-A Compounds that inhibit TDG activity 上海仕谱生物科技有限公司 2022-02-18 — — CN disclosed
WO-2020224396-A1 COMPOUNDS INHIBITING TDG ACTIVITY 上海仕谱生物科技有限公司 2020-11-12 — — WO disclosed
CN-111909138-A Compounds that inhibit TDG activity 上海仕谱生物科技有限公司 2020-11-10 — — CN disclosed
EP-3458451-A1 TRPV4 ANTAGONIST Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2019-03-27 — — EP disclosed
US-20180093951-A1 PESTICIDALLY ACTIVE CARBAMOYLATED AND THIOCARBAMOYLATED OXIME DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-05 — — US disclosed
WO-2017199199-A1 TRPV4 ANTAGONIST GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-11-23 — — WO disclosed
EP-3089963-A1 2-BENZYL-BENZIMIDAZOLE COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-11-09 — — EP disclosed
WO-2015066241-A1 2-BENZYL-BENZIMIDAZOLE COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-05-07 — — WO disclosed
EP-2855456-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF Novartis AG (CH) 2015-04-08 — — EP disclosed
WO-2013164802-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2013-11-07 — — WO disclosed
EP-2521722-A1 PROCESS FOR MAKING A METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATOR - 874 AstraZeneca AB (SE) 2012-11-14 — — EP disclosed
EP-2057143-A2 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORPORATION (US) 2009-05-13 — — EP disclosed
WO-2008027542-A2 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORPORATION (US) 2008-03-06 — — 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-20180093951-A1 PESTICIDALLY ACTIVE CARBAMOYLATED AND THIOCARBAMOYLATED OXIME DERIVATIVES ACHE, DDT, BCHE IMPDH2 1172/4885IMPDH1 761/4885CYP2A6 94/4885
US-20220213070-A1 COMPOUNDS INHIBITING TDG ACTIVITY TDO2, TFPI, PPIG IMPDH2 514/4885IMPDH1 446/4885CYP2A6 315/4885

“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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