SCHEMBL6567587

SCHEMBL6567587

COc1ccc(NC(=O)Nc2ccc(OC(c3ccc(F)cc3)c3ccc(C(F)(F)F)cc3)c(C(=O)NC(C)(C)C)c2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
MCHR1 Q99705 2/20 0.43
SCN8A Q9UQD0 3/20 0.42
SCN10A Q9Y5Y9 3/20 0.42
PPARA Q07869 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL6564637 0.93 IMPDH2 (0.44) IMPDH2IMPDH1MCHR1PPARAHTR2A
SCHEMBL6567816 0.92 MTOR (0.45) IMPDH2IMPDH1MCHR1SCN8ASCN10A
SCHEMBL6567807 0.90 MCHR1 (0.44) MCHR1SCN8ASCN10APPARAHTR2A
SCHEMBL6566945 0.90 IMPDH2 (0.45) IMPDH2IMPDH1MCHR1SCN8ASCN10A
SCHEMBL6566690 0.89 KMT2A (0.42) IMPDH2IMPDH1MCHR1SCN8ASCN10A
SCHEMBL6566552 0.89 HTR2A (0.46) MCHR1PPARAHTR2AHTR2CCYP1A2
SCHEMBL6566524 0.89 MEN1 (0.47) MCHR1SCN8ASCN10AHTR2AHTR2C
SCHEMBL6568233 0.88 POLB (0.42) IMPDH2IMPDH1MCHR1PPARAHTR2A
SCHEMBL6565012 0.87 IMPDH2 (0.40) IMPDH2IMPDH1MCHR1PPARAHTR2A
SCHEMBL6566572 0.86 POLB (0.43) IMPDH2IMPDH1MEN1KMT2ARAB9A

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 IMPDH2 4497/4885IMPDH1 4113/4885MCHR1 382/4885

“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.