SCHEMBL4072087

SCHEMBL4072087

O=[N+]([O-])C=Cc1c[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.56
▸ IMPDH2 P12268 1/20 0.56
▸ RXRA P19793 1/20 0.54
▸ KMT2A Q03164 7/20 0.51
▸ MAPT P10636 7/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ HPGD P15428 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ GAA P10253 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ CYP1A2 P05177 3/20 0.49
▸ CYP2D6 P10635 3/20 0.49
▸ CYP2C19 P33261 3/20 0.49

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
SCHEMBL4216615 1.00 CYP2A6 (0.56) CYP2A6IMPDH2RXRAKMT2AMAPT
SCHEMBL30412249 1.00 CYP2A6 (0.56) CYP2A6IMPDH2RXRAKMT2AMAPT
SCHEMBL30345109 1.00 CYP2A6 (0.56) CYP2A6IMPDH2RXRAKMT2AMAPT
Tryptamine SCHEMBL4977403 0.84 PMP22 (0.62) CYP2A6IMPDH2KMT2AMAPTALDH1A1
Tryptamine SCHEMBL4977400 0.84 PMP22 (0.62) CYP2A6IMPDH2KMT2AMAPTALDH1A1
SCHEMBL5147034 0.81 NR4A2 (0.44) CYP2A6IMPDH2RXRAKMT2AMAPT
SCHEMBL2537810 0.81 IMPDH2 (0.44) CYP2A6IMPDH2RXRAKMT2AMAPT
SCHEMBL2537812 0.81 IMPDH2 (0.44) CYP2A6IMPDH2RXRAKMT2AMAPT
SCHEMBL5147033 0.81 NR4A2 (0.44) CYP2A6IMPDH2RXRAKMT2AMAPT
SCHEMBL10489040 0.80 CYP2A6 (0.69) CYP2A6IMPDH2KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680236-A2 3-ALKYLAMINE INDOLE ACTIVATORS OF SEROTONIN RECEPTORS ATAI Therapeutics, Inc. (US) 2026-01-21 — — EP disclosed
WO-2024192150-A2 3-ALKYLAMINE INDOLE ACTIVATORS OF SEROTONIN RECEPTORS Atai Therapeutics Inc. (US) 2024-09-19 — — WO disclosed
CN-115925658-B Preparation method of 2-aminoethylfuran 常州佳德医药科技有限公司 2024-02-27 — — CN disclosed
CN-115925658-A Preparation method of 2-aminoethylfuran 常州佳德医药科技有限公司 2023-04-07 — — CN disclosed
EP-3459950-B1 TETRAHYDRO-BETA-CARBOLINE ALKALOID DERIVATIVES, METHOD FOR PREPARING THE SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, AS FUNGICIDES AND INSECTICIDES JINGBO AGROCHEMICALS TECH CO LTD (CN) 2022-05-18 — — EP disclosed
EP-3459951-B1 TETRAHYDRO-BETA-CARBOLINE ALKALOID DERIVATIVES, METHOD FOR PREPARING THE SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, AS FUNGICIDES AND INSECTICIDES JINGBO AGROCHEMICALS TECH CO LTD (CN) 2022-05-11 — — EP disclosed
CN-106986859-B Indole derivatives and uses thereof 广东东阳光药业有限公司 2020-02-11 — — CN disclosed
EP-3459950-A1 BETA-CARBOLINE, DIHYDRO-BETA-CARBOLINE AND TETRAHYDRO-BETA-CARBOLINE ALKALOID DERIVATIVES, METHOD FOR PREPARING THE SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, AS FUNGICIDES AND INSECTICIDES Nankai University (CN) 2019-03-27 — — EP disclosed
EP-3459951-A1 BETA-CARBOLINE, DIHYDRO-BETA-CARBOLINE AND TETRAHYDRO-BETA-CARBOLINE ALKALOID DERIVATIVES, METHOD FOR PREPARING THE SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, AS FUNGICIDES AND INSECTICIDES Nankai University (CN) 2019-03-27 — — EP disclosed
US-10208033-B2 β-carboline, dihydro-β-carboline and tetrahydro-β-carboline alkaloid derivatives and preparation methods same and use in aspects of preventing and treating plant viruses, fungicides and insecticides NANKAI UNIVERSITY (CN) 2019-02-19 — — US disclosed
EP-2083818-A2 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS University of Sunderland (GB) 2009-08-05 — — EP disclosed
US-20090028796-A1 PESTICIDAL COMPOSITION COMPRISING INDOLE DERIVATES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2009-01-29 — — US disclosed
WO-2008062167-A2 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS UNIVERSITY OF SUNDERLAND (GB) 2008-05-29 — — WO disclosed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 — — EP disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 — — US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 — — EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 — — WO disclosed
US-5436264-A Adrenergic blocking agents for vasoconstriction and hypotensive agents SYNTEX (U.S.A.) INC. (US) 1995-07-25 — — US disclosed
EP-0623138-A1 NEW ADENOSINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. UNION PHARMA SCIENT APPL (FR) 1994-11-09 — — EP disclosed
US-4252803-A HYPOTENSIVE AGENTS, ANALGESICS GLAXO GROUP LIMITED (GB) 1981-02-24 — — 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 (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-20090028796-A1 PESTICIDAL COMPOSITION COMPRISING INDOLE DERIVATES IDO1, IDO2, INMT CYP2A6 3550/4885IMPDH2 316/4885RXRA 4858/4885
US-10208033-B2 β-carboline, dihydro-β-carboline and tetrahydro-β-carboline alkaloid derivatives and preparation methods same and use in aspects of preventing and treating plant viruses, fungicides and insecticides DDT, ZC3HAV1, NOTUM CYP2A6 1120/4885IMPDH2 342/4885RXRA 4242/4885

“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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