SCHEMBL257057

SCHEMBL257057

CCc1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.48
IDO1 P14902 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.40
PYCR1 P32322 1/20 0.40
NOTUM Q6P988 2/20 0.38
TRPA1 O75762 1/20 0.38
PHGDH O43175 1/20 0.38
PDE2A O00408 3/20 0.37
SIGMAR1 Q99720 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KIF11 P52732 1/20 0.36
PDK2 Q15119 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
SCHEMBL12603810 0.85 KIF11 (0.46) DAOIDO1PYCR1FFAR4KIF11
SCHEMBL16770734 0.85 DAO (0.52) DAOIDO1PYCR1NOTUMPHGDH
SCHEMBL257060 0.84 IDO1 (0.61) IDO1PYCR1NOTUMLMNA
SCHEMBL4656217 0.82 DAO (0.49) DAOIDO1MRGPRX4PYCR1NOTUM
SCHEMBL10162941 0.82 PDE2A (0.41) DAOIDO1TRPA1PDE2ASIGMAR1
SCHEMBL12967051 0.81 MRGPRX4 (0.42) DAOIDO1MRGPRX4
SCHEMBL3245823 0.81 RXRA (0.44) DAOIDO1PYCR1NOTUMTRPA1
SCHEMBL19771966 0.81 DAO (0.46) DAOIDO1MRGPRX4PYCR1NOTUM
SCHEMBL24400227 0.80 DAO (0.48) DAOIDO1MRGPRX4PYCR1NOTUM
SCHEMBL1592495 0.80 DAO (0.48) DAOIDO1MRGPRX4PYCR1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023214576-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS 中外製薬株式会社 2023-11-09 WO disclosed
US-20230192644-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 US disclosed
US-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 US disclosed
WO-2021257173-A1 ANTIBIOTIC ADJUVANT COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-12-23 WO disclosed
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-10 US disclosed
WO-2021067805-A1 OXALAMIDE HETEROBYCYCLIC COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-04-08 WO disclosed
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 US disclosed
US-10322110-B2 Imidazole-based antimicrobial agents PROCOMCURE BIOTECH GMBH (AT) 2019-06-18 US disclosed
WO-2018035346-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER ICHAN SCHOOL OF MEDICINE AT MOUNT SINAL (US) 2018-02-22 WO disclosed
WO-2017143230-A1 ANTIFUNGAL COMPOUNDS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-24 WO disclosed
WO-2012139891-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER CROPSCIENCE AG (DE) 2012-10-18 WO disclosed
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-10-11 US disclosed
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. 2012-10-04 US disclosed
WO-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed
WO-2010070032-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 WO disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-7659307-B2 Nonphytotoxic; 4-Bromo-3-methoxy-N-4-[4(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide; 4-[(Allyloxycarbonyl)amino]-3-methoxy-N-4-[4-(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide BAYER CROPSCIENCE S.A. (FR) 2010-02-09 US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 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 (8 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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT DAO 423/4885IDO1 1/4885MRGPRX4 2679/4885
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP DAO 4503/4885IDO1 3387/4885MRGPRX4 3380/4885
US-10322110-B2 Imidazole-based antimicrobial agents ARG1, SLC11A2, IKZF3 DAO 1079/4885IDO1 11/4885MRGPRX4 1446/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 DAO 4258/4885IDO1 4409/4885MRGPRX4 174/4885
US-20230192644-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE IKZF2, IKZF1, NUTF2 DAO 3563/4885IDO1 992/4885MRGPRX4 4556/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP DAO 4503/4885IDO1 3387/4885MRGPRX4 3380/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 DAO 2687/4885IDO1 2615/4885MRGPRX4 861/4885
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS DAO 2254/4885IDO1 1588/4885MRGPRX4 3275/4885

“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.