Sugi Predict

Sugi Predict / Compounds / SCHEMBL1233768

SCHEMBL1233768

SCHEMBL1233768

Cc1ccc(-n2cnc(C(F)(F)F)n2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR1 Q9BXC0 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TNF P01375 1/20 0.35
▸ RAB9A P51151 1/20 0.33
▸ CCR1 P32246 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ CCR8 P51685 1/20 0.32
▸ FSCN1 Q16658 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL29558810 1.00 HCAR1 (0.40) HCAR1KDM4ENPSR1ALDH1A1TNF
SCHEMBL27834793 0.92 HCAR1 (0.38) HCAR1KDM4ENPSR1ALDH1A1FSCN1
SCHEMBL12812945 0.88 HCAR1 (0.38) HCAR1KDM4ENPSR1ALDH1A1TNF
SCHEMBL12812941 0.87 HCAR1 (0.37) HCAR1KDM4ENPSR1ALDH1A1TNF
SCHEMBL2922803 0.86 FFAR4 (0.33) HCAR1
SCHEMBL1495147 0.85 HCAR1 (0.36) HCAR1KDM4ENPSR1ALDH1A1TNF
SCHEMBL2913915 0.85 POLB (0.38) HCAR1ALDH1A1RAB9AFSCN1HTT
SCHEMBL2916643 0.82 LMNA (0.33) LMNAPTGS1
SCHEMBL2912950 0.82 RXRA (0.35) RAB9AHTTLMNAPOLBMEN1
SCHEMBL2922204 0.82 DDR1 (0.36) HCAR1ALDH1A1TNFRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724092-B Aryl sulfide derivative and synthesis method and application thereof 山东康乔生物科技有限公司 2022-04-01 — — CN disclosed
CN-112724092-A Aryl sulfide derivative and synthesis method and application thereof 山东康乔生物科技有限公司 2021-04-30 — — CN disclosed
CN-103664811-B (1H-1,2,4-triazol-1-yl) aryl compound and preparation method thereof IHARA CHEMICAL IND CO. (JP) 2015-09-16 — — CN disclosed
EP-2226317-B1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF IHARA CHEMICAL IND CO (JP) 2015-08-12 — — EP disclosed
US-8722717-B2 3-triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2014-05-13 — — US disclosed
US-8722717-B2 3-triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2014-05-13 — — US disclosed
US-8722717-B2 3-triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2014-05-13 — — US disclosed
CN-103664811-A Aryl (1h-1,2,4-triazol-1-yl) compound, and process for production thereof IHARA CHEMICAL IND CO 2014-03-26 — — CN disclosed
US-8648207-B2 Aryl (1H-1,2,4-triazol-1-yl) compound, and process for production thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2014-02-11 — — US disclosed
US-8440838-B2 Aryl (1H-1,2,4-triazol-1-yl) compound and process for production thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-05-14 — — US disclosed
US-20110046194-A1 3-Triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2011-02-24 — — US disclosed
US-20110046194-A1 3-Triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2011-02-24 — — US disclosed
WO-2011020567-A1 3-TRIAZOLYLPHENYL-SUBSTITUTED SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2011-02-24 — — WO disclosed
WO-2011020567-A1 3-TRIAZOLYLPHENYL-SUBSTITUTED SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2011-02-24 — — WO disclosed
US-20110046194-A1 3-Triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2011-02-24 — — US disclosed
WO-2011020579-A1 METHOD FOR PRODUCING 1-PHENYL-1,2,4-TRIAZOLES BAYER CROPSCIENCE AG (DE) 2011-02-24 — — WO disclosed
WO-2011020579-A1 METHOD FOR PRODUCING 1-PHENYL-1,2,4-TRIAZOLES BAYER CROPSCIENCE AG (DE) 2011-02-24 — — WO disclosed
CN-101910140-A (1H-1,2, 4-triazol-1-yl) aryl compounds and process for producing the same IHARA CHEMICAL IND CO 2010-12-08 — — CN disclosed
US-20100256386-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND AND PROCESS FOR PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-07 — — US disclosed
EP-2226317-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-09-08 — — 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 (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-20100256386-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND AND PROCESS FOR PRODUCTION THEREOF CYP1A1, CYP2S1, NAT1 HCAR1 3445/4885KDM4E 2741/4885NPSR1 2092/4885
US-20110046194-A1 3-Triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides CYP4B1, ARSA, C1S HCAR1 4009/4885KDM4E 3966/4885NPSR1 811/4885

“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.