SCHEMBL9911981

SCHEMBL9911981

Cc1cc(C(F)(F)F)on1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
LMNA P02545 2/20 0.36
ATF1 P18846 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NR1I2 O75469 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL17809490 0.84 HCAR2 (0.38) HCAR2HSP90AA1HSP90AB1CHRNB2CHRNA4
SCHEMBL15473290 0.84 HCAR2 (0.38) HCAR2HSP90AA1HSP90AB1ATF1NFKB1
SCHEMBL16996976 0.82 HCAR2 (0.36) HCAR2HSP90AA1HSP90AB1LMNACHRNB2
SCHEMBL12650126 0.80 HCAR2 (0.35) HCAR2HSP90AA1HSP90AB1CHRNB2CHRNA4
SCHEMBL10072176 0.79 MLYCD (0.39) HCAR2POLBSMN1; SMN2
SCHEMBL171117 0.78 KMT2A (0.48) HCAR2LMNACHRNB2CHRNA4CHRNB4
SCHEMBL2585201 0.74 HCAR2 (0.38) HCAR2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9868320 0.74 HCAR2 (0.42) HCAR2MEN1KMT2APOLBALDH1A1
SCHEMBL20320520 0.74 HCAR2 (0.38) HCAR2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2585198 0.74 HCAR2 (0.38) HCAR2CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220247-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
EP-3998259-A1 NOVEL BRADYKININ B2 RECEPTOR ANTAGONISTS Pharvaris Netherlands B.V. (NL) 2022-05-18 EP disclosed
EP-3713928-B1 NOVEL BRADYKININ B2 RECEPTOR ANTAGONISTS PHARVARIS NETHERLANDS B V (NL) 2022-01-12 EP disclosed
WO-2021231778-A1 CORONAVIRUS PROTEASE DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-11-18 WO disclosed
US-11084815-B2 Heterocyclic compound and harmful arthropod controlling agent containing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-08-10 US disclosed
US-11040971-B2 2021-06-22 US disclosed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
EP-3689872-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD CONTROLLING AGENT CONTAINING SAME Sumitomo Chemical Company, Limited (JP) 2020-08-05 EP disclosed
US-20200231587-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD CONTROLLING AGENT CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-07-23 US disclosed
WO-2019101906-A1 NOVEL BRADYKININ B2 RECEPTOR ANTAGONISTS PHARVARIS B.V. (NL) 2019-05-31 WO disclosed
WO-2011050160-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2011-04-28 WO disclosed
US-20100240722-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION COMPRISING THE SAME Sumitomoo Chemical Company, Limited (JP) 2010-09-23 US disclosed
US-20100240722-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION COMPRISING THE SAME Sumitomoo Chemical Company, Limited (JP) 2010-09-23 US disclosed
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-05 US disclosed
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-05 US disclosed
WO-2010087294-A1 TRIAZOLOPYRIMIDINE DERIVATIVE OR ITS SALT, PROCESS FOR PRODUCING THE SAME AND PESTICIDE CONTAINING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-08-05 WO disclosed
EP-2174934-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-04-14 EP disclosed
US-7402548-B2 Benzoxazole compounds, process for producing the same and herbicides KYOYU AGRI CO., LTD. (JP) 2008-07-22 US disclosed
US-7402548-B2 Benzoxazole compounds, process for producing the same and herbicides KYOYU AGRI CO., LTD. (JP) 2008-07-22 US disclosed
EP-1637525-B1 Benzoxazole compound, process for producing the same, and herbicides KYOYU AGRI CO LTD (JP) 2007-12-19 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 (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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS HCAR2 675/4885HSP90AA1 1712/4885HSP90AB1 1628/4885
US-11040971-B2 C1QBP, C5, C3AR1 HCAR2 2372/4885HSP90AA1 2103/4885HSP90AB1 2501/4885
US-20100240722-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION COMPRISING THE SAME CBR3, CYCS, DDT HCAR2 836/4885HSP90AA1 1569/4885HSP90AB1 1654/4885
US-20200231587-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD CONTROLLING AGENT CONTAINING SAME C5, C3AR1, C9 HCAR2 1692/4885HSP90AA1 1522/4885HSP90AB1 1910/4885
US-11084815-B2 Heterocyclic compound and harmful arthropod controlling agent containing same C5, C3AR1, C9 HCAR2 1692/4885HSP90AA1 1522/4885HSP90AB1 1910/4885
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE CBR3, CBR1, DDT HCAR2 483/4885HSP90AA1 3378/4885HSP90AB1 3147/4885

“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.