SCHEMBL6565839

SCHEMBL6565839

COC(=O)c1cc([N+](=O)[O-])ccc1OC(c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 5/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
MPO P05164 1/20 0.40
CETP P11597 1/20 0.40
HTR1A P08908 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
P2RX1 P51575 1/20 0.40
TMPRSS4 Q9NRS4 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
SCHEMBL6565636 0.96 MAPT (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6564698 0.92 MPO (0.45) MEN1KMT2AMAPTHPGDTP53
SCHEMBL6564797 0.92 MAPT (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6567977 0.91 MAPT (0.38) MEN1KMT2AMAPTHPGDTP53
SCHEMBL6565695 0.91 KMT2A (0.43) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6564654 0.91 MEN1 (0.41) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL6567723 0.90 MEN1 (0.52) MEN1KMT2AMAPTHPGDTP53
SCHEMBL6566648 0.89 MAPT (0.41) MEN1KMT2AMAPTHPGDTP53
SCHEMBL6564852 0.89 MPO (0.45) MEN1KMT2AMAPTHPGDLMNA
SCHEMBL6564544 0.89 RORC (0.41) MEN1KMT2AMAPTTP53SMN1; 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 MEN1 4143/4885KMT2A 3137/4885MAPT 4743/4885

“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.