SCHEMBL6566670

SCHEMBL6566670

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 6/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RORC P51449 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41

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
SCHEMBL6564760 0.96 MAPT (0.46) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL6567723 0.93 MEN1 (0.52) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL6564414 0.90 KMT2A (0.45) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6566607 0.90 MEN1 (0.43) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL6568088 0.90 MAPT (0.43) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL6565314 0.89 MEN1 (0.47) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL6564797 0.89 MAPT (0.41) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6565839 0.89 MEN1 (0.44) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL6566827 0.88 RORC (0.45) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL6564665 0.88 KMT2A (0.43) KMT2AMEN1MAPTHPGDSMN1; 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 KMT2A 3137/4885MEN1 4143/4885MAPT 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.