SCHEMBL6567993

SCHEMBL6567993

COC(=O)c1cc([N+](=O)[O-])ccc1OC(c1ccc(Cl)cc1)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.44
MAPT P10636 6/20 0.43
LMNA P02545 4/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
NPC1 O15118 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PYGL P06737 1/20 0.41
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL6564432 0.94 MEN1 (0.45) RORCMAPTLMNAKMT2AMEN1
SCHEMBL6566827 0.92 RORC (0.45) RORCMAPTLMNAKMT2AMEN1
SCHEMBL6564559 0.90 MAPT (0.44) RORCMAPTLMNAKMT2AMEN1
SCHEMBL6565314 0.90 MEN1 (0.47) RORCMAPTLMNAKMT2AMEN1
SCHEMBL6564544 0.90 RORC (0.41) RORCMAPTLMNAKMT2AMEN1
SCHEMBL6564691 0.90 MEN1 (0.48) RORCMAPTLMNAKMT2AMEN1
SCHEMBL6566844 0.89 TDP1 (0.45) RORCMAPTLMNAKMT2AMEN1
SCHEMBL6564414 0.85 KMT2A (0.45) RORCMAPTLMNAKMT2AMEN1
SCHEMBL6564684 0.84 MEN1 (0.41) RORCMAPTLMNAKMT2AMEN1
SCHEMBL6567929 0.83 ABL1 (0.40) LMNAKMT2AMEN1NPC1POLB

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 RORC 829/4885MAPT 4743/4885LMNA 4043/4885

“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.