SCHEMBL935880

SCHEMBL935880

CC#Cc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
CA1 P00915 2/20 0.50
GRM5 P41594 10/20 0.49
SLC6A2 P23975 1/20 0.46
ACHE P22303 1/20 0.44
CYP1A1 P04798 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP1B1 Q16678 2/20 0.41
IKBKB O14920 1/20 0.40

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
SCHEMBL31286312 0.85 CA12 (0.62) CA12CA2CA9CA1GRM5
SCHEMBL9302636 0.85 CA12 (0.62) CA12CA2CA9CA1GRM5
SCHEMBL2876029 0.83 CYP1A1 (0.48) GRM5ACHECYP1A1CYP1A2CYP1B1
SCHEMBL717450 0.79 CA12 (0.59) CA12CA2CA9CA1GRM5
SCHEMBL718613 0.79 CA12 (0.52) CA12CA2CA9CA1GRM5
SCHEMBL25490046 0.77 GRM5 (0.50) CA12CA2CA9CA1GRM5
SCHEMBL848355 0.77 CA12 (0.50) CA12CA2CA9CA1GRM5
SCHEMBL9304700 0.77 CA12 (0.62) CA12CA2CA9CA1GRM5
SCHEMBL29978832 0.77 GRM5 (0.50) CA12CA2CA9CA1GRM5
SCHEMBL15540865 0.77 CA12 (0.50) CA12CA2CA9CA1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112876507-B Trisubstituted olefin tertiary phosphine compound and preparation method thereof 湖北大学 2022-08-30 CN disclosed
US-20210332039-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-28 US disclosed
EP-3414229-B1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2021-06-16 EP disclosed
CN-112876507-A Trisubstituted olefin tertiary phosphine compound and preparation method thereof 湖北大学 2021-06-01 CN disclosed
US-10981907-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-04-20 US disclosed
US-10588900-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-03-17 US disclosed
US-20190144445-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-05-16 US disclosed
US-20190046520-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2019-02-14 US disclosed
US-20170362224-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-21 US disclosed
WO-2017139274-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2017-08-17 WO disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
WO-2011009934-A1 TRIS(1,2,3-TRIAZOL-4-YL)METHANE ORGANOMETALLIC COMPOUNDS AS CATALYSTS AND PROCESSES USING THEM. INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) 2011-01-27 WO disclosed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US disclosed
WO-2009143404-A1 PIPERAZINE METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLUR5) NEGATIVE ALLOSTERIC MODULATORS FOR ANXIETY/DEPRESSION WYETH (US) 2009-11-26 WO disclosed
US-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2009-03-12 US disclosed
US-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide BAYER CROPSCIENCE AG (DE) 2008-11-27 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 (11 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-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide AZI2, NISCH, ZYX CA12 1816/4885CA2 317/4885CA9 3301/4885
US-10981907-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents DDT, ACHE, GSTM1 CA12 4220/4885CA2 1059/4885CA9 3753/4885
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 CA12 4645/4885CA2 3427/4885CA9 4876/4885
US-20190144445-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR CA12 4168/4885CA2 925/4885CA9 3604/4885
US-20170362224-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, SQOR, PTMS CA12 3989/4885CA2 873/4885CA9 3304/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS CA12 875/4885CA2 1877/4885CA9 2096/4885
US-20210332039-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR CA12 4168/4885CA2 925/4885CA9 3604/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS CA12 875/4885CA2 1877/4885CA9 2096/4885
US-20190046520-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX CA12 3990/4885CA2 1552/4885CA9 3212/4885
US-10588900-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX CA12 3990/4885CA2 1552/4885CA9 3212/4885
US-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES PF4, AFF4, FLI1 CA12 1145/4885CA2 1033/4885CA9 2467/4885

“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.