Sugi Predict

Sugi Predict / Compounds / SCHEMBL1972143

SCHEMBL1972143

SCHEMBL1972143

Cc1cc(C(F)(F)F)ccc1CN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.46
▸ IDO1 P14902 2/20 0.44
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.41
▸ PDE2A O00408 2/20 0.39
▸ HTR2A P28223 2/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PNMT P11086 1/20 0.37
▸ MPO P05164 1/20 0.36
▸ TPO P07202 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MAOB P27338 2/20 0.36
▸ POLB P06746 1/20 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
Hydrochloric Acid SCHEMBL966617 0.98 IDO1 (0.47) DAOIDO1RXRARXRBRXRG
SCHEMBL4239916 0.86 IDO1 (0.43) DAOIDO1TAAR1PDE2AHTR2A
SCHEMBL24196658 0.86 DAO (0.36) DAOIDO1RXRARXRBRXRG
SCHEMBL4616378 0.84 TAAR1 (0.52) DAOIDO1RXRARXRBRXRG
SCHEMBL10124571 0.83 PDE2A (0.41) DAORXRARXRBRXRGTAAR1
SCHEMBL12603811 0.81 DAO (0.51) DAOIDO1RXRARXRBRXRG
SCHEMBL12049340 0.81 HTR1D (0.46) RXRARXRBTSHRSLC6A4POLB
SCHEMBL21945440 0.81 DAO (0.47) DAOIDO1RXRARXRBRXRG
SCHEMBL18934899 0.80 MPO (0.43) DAOIDO1TAAR1PDE2AHTR2A
SCHEMBL13782 0.80 DAO (0.48) DAOIDO1RXRARXRBRXRG

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
US-20230219921-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-07-13 — — US disclosed
US-20230219921-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-07-13 — — US disclosed
US-20170152252-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion SERENTRIX, LLC 2017-06-01 — — US disclosed
US-20160289199-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion SERENTRIX LLC (US) 2016-10-06 — — US disclosed
US-9216975-B2 TRPV1 vanilloid receptor antagonists with a bicyclic portion Serentrix, LLC. (US) 2015-12-22 — — US disclosed
US-20130079339-A1 TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION PHARMESTE S.R.L. (IT) 2013-03-28 — — US disclosed
US-7977349-B2 Substituted quinolones III AICURIS GMBH & CO. KG (DE) 2011-07-12 — — US disclosed
US-7977349-B2 Substituted quinolones III AICURIS GMBH & CO. KG (DE) 2011-07-12 — — US disclosed
EP-1994020-B1 Substituted quinolones III AICURIS GMBH & CO KG (DE) 2011-06-22 — — EP disclosed
US-7867992-B2 such as 1-Cyclopropyl-N-(2,4-dichlorobenzyl)-6-fluoro-8-methoxy-7-[3-methyl-4-(2-{[(methylamino)carbonyl]amino}-2-oxoethyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxamide, used for the treatment and/or prophylaxis of viral diseases or infections, particularly against cytomegaloviruses AICURIS GMBH & CO. KG (DE) 2011-01-11 — — US disclosed
US-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 — — US disclosed
US-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 — — US disclosed
EP-1994020-A2 SUBSTITUTED QUINOLONES III AiCuris GmbH & Co. KG (DE) 2008-11-26 — — EP disclosed
US-20070293478-A1 Substituted quinolones BAYER HEALTHCARE AG (DE) 2007-12-20 — — US disclosed
US-20070293478-A1 Substituted quinolones BAYER HEALTHCARE AG (DE) 2007-12-20 — — US disclosed
EP-1768973-B1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO KG (DE) 2007-12-05 — — EP disclosed
WO-2007090579-A2 SUBSTITUTED QUINOLONES III AICURIS GMBH & CO. KG (DE) 2007-08-16 — — WO disclosed
WO-2007090579-A2 SUBSTITUTED QUINOLONES III AICURIS GMBH & CO. KG (DE) 2007-08-16 — — WO disclosed
EP-1768973-A1 SUBSTITUTED QUINOLONES AiCuris GmbH & Co. KG (DE) 2007-04-04 — — EP disclosed
WO-2006008046-A1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO. KG (DE) 2006-01-26 — — 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 (6 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-20090181996-A1 SUBSTITUTED QUINOLONES III IRF3, TPMT, TOP2A DAO 1754/4885IDO1 556/4885RXRA 1655/4885
US-20170152252-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion TRPV1, TRPV5, TRPV3 DAO 3430/4885IDO1 3179/4885RXRA 1201/4885
US-20230219921-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 DAO 1619/4885IDO1 4329/4885RXRA 4722/4885
US-20070293478-A1 Substituted quinolones IRF3, TPMT, NQO2 DAO 1652/4885IDO1 361/4885RXRA 1527/4885
US-20160289199-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion TRPV1, TRPV5, TRPV3 DAO 3430/4885IDO1 3179/4885RXRA 1201/4885
US-20130079339-A1 TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION TRPV1, TRPV5, TRPV3 DAO 3430/4885IDO1 3179/4885RXRA 1201/4885

“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.