SCHEMBL6567977

SCHEMBL6567977

COC(=O)c1cc([N+](=O)[O-])ccc1OC(c1ccc(C(F)(F)F)cc1)c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CETP P11597 1/20 0.37
CASR P41180 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MPO P05164 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
P2RX1 P51575 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.37
PGR P06401 1/20 0.37
AR P10275 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 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
SCHEMBL6564797 0.91 MAPT (0.41) MAPTALDH1A1KDM4ECETPKMT2A
SCHEMBL6565839 0.91 MEN1 (0.44) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6564665 0.91 KMT2A (0.43) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6565636 0.91 MAPT (0.43) MAPTALDH1A1KDM4ECETPKMT2A
SCHEMBL6564654 0.90 MEN1 (0.41) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6564684 0.89 MEN1 (0.41) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6564852 0.88 MPO (0.45) MAPTHPGDKMT2AMEN1MPO
SCHEMBL6564698 0.88 MPO (0.45) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL6565695 0.87 KMT2A (0.43) MAPTALDH1A1SMN1; SMN2CETPKMT2A
SCHEMBL6566648 0.85 MAPT (0.41) MAPTALDH1A1KDM4EHPGDSMN1; 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 MAPT 4743/4885ALDH1A1 907/4885KDM4E 2962/4885

“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.