Sugi Predict

Sugi Predict / Compounds / SCHEMBL2798405

SCHEMBL2798405

SCHEMBL2798405

Cc1ccc2c(ccc[n+]2[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP2A6 P11509 5/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ CYP1A2 P05177 5/20 0.41
▸ ATM Q13315 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ ACHE P22303 3/20 0.37
▸ NQO2 P16083 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL758788 0.84 CYP2A6 (0.45) KDM4ESMN1; SMN2CYP2A6TDP1KMT2A
SCHEMBL10256989 0.78 ACHE (0.59) KDM4ESMN1; SMN2CYP2A6TDP1KMT2A
SCHEMBL607157 0.76 CYP1A2 (0.45) CYP2A6CYP1A2ATMACHEMAPT
SCHEMBL1771699 0.76 ALDH1A1 (0.45) KDM4ESMN1; SMN2TDP1KMT2AATM
SCHEMBL3732872 0.76 ATM (0.39) KDM4ETDP1ATMACHEMAPT
SCHEMBL369538 0.76 CYP2A6 (0.45) KDM4ECYP2A6KMT2ACYP1A2ATM
Bromide SCHEMBL17187187 0.76 ACHE (0.58) KDM4ESMN1; SMN2CYP2A6TDP1KMT2A
SCHEMBL3264399 0.76 MEN1 (0.47) TDP1KMT2ACYP1A2ATMMEN1
SCHEMBL20996058 0.76 ATM (0.39) KDM4ETDP1ATMACHEMAPT
Iodide SCHEMBL17187087 0.76 ACHE (0.61) KDM4ESMN1; SMN2CYP2A6TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117384154-A Pyrroloquinolinone compound, synthesis method and application thereof 广州医科大学 2024-01-12 — — CN disclosed
CN-110256342-B Synthetic method of 2-cyano quinoline derivative 河南省科学院化学研究所有限公司 2022-06-07 — — CN disclosed
US-11021463-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-06-01 — — US disclosed
EP-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 — — EP disclosed
CN-106061480-B Therapeutic inhibitory compounds 莱福斯希医药公司 2020-02-28 — — CN disclosed
CN-107072985-B Therapeutic inhibiting compounds 莱福斯希医药公司 2020-02-07 — — CN disclosed
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 — — US disclosed
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 — — US disclosed
CN-110256342-A A kind of synthetic method of 2- cyano-quinoline derivatives 河南省科学院化学研究所有限公司 2019-09-20 — — CN disclosed
US-10266515-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-23 — — US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 — — US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 — — US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 — — US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 — — EP disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 — — EP disclosed
EP-1270577-B1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-12-06 — — EP disclosed
US-6924292-B2 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 — — US disclosed
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 — — US disclosed
WO-2004021987-A2 TREATMENT OF RHEUMATOID ARTHRITIS BY INHIBITION OF PDE4 MERCK & CO., INC. (US) 2004-03-18 — — WO disclosed
EP-1270577-A1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-01-02 — — EP 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 (7 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 KDM4E 2360/4885SMN1; SMN2 1206/4885CYP2A6 2749/4885
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KDM4E 798/4885SMN1; SMN2 4577/4885CYP2A6 3683/4885
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KDM4E 798/4885SMN1; SMN2 4577/4885CYP2A6 3683/4885
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof PDE3B, PDE5A, PDE3A KDM4E 300/4885SMN1; SMN2 4678/4885CYP2A6 1809/4885
US-10266515-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KDM4E 798/4885SMN1; SMN2 4577/4885CYP2A6 3683/4885
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR KDM4E 1819/4885SMN1; SMN2 2642/4885CYP2A6 442/4885
US-11021463-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KDM4E 798/4885SMN1; SMN2 4577/4885CYP2A6 3683/4885

“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.