SCHEMBL6567751

SCHEMBL6567751

COC(=O)c1cc(N)ccc1OC(c1ccc(C(F)(F)F)cc1)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
CTSA P10619 4/20 0.39
RORC P51449 1/20 0.37
RORB Q92753 1/20 0.37
LMNA P02545 5/20 0.36
GAA P10253 4/20 0.36
THRB P10828 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL6566099 0.89 CFTR (0.43) CFTRMRGPRX4CTSALMNAGAA
SCHEMBL6567926 0.89 HPGD (0.42) CTSALMNAGAAHPGDSMN1; SMN2
SCHEMBL6567929 0.89 ABL1 (0.40) CFTRLMNAGAAHPGDSMN1; SMN2
SCHEMBL6565892 0.89 IDO1 (0.44) CFTRCTSARORCLMNAGAA
SCHEMBL6564639 0.88 CFTR (0.47) CFTRMRGPRX4GAAHTT
SCHEMBL6567804 0.88 CFTR (0.51) CFTRMRGPRX4GAAKDM4EALDH1A1
SCHEMBL6566067 0.87 CFTR (0.46) CFTRMRGPRX4LMNAGAATHRB
SCHEMBL6564544 0.85 RORC (0.41) MRGPRX4CTSARORCLMNATHRB
SCHEMBL6565797 0.84 CFTR (0.42) CFTRMRGPRX4GAA
SCHEMBL6564379 0.83 CFTR (0.47) CFTRMRGPRX4GAAHPGDSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 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 (1 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 CFTR 865/4885MRGPRX4 287/4885CTSA 2771/4885

“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.