SCHEMBL6564544

SCHEMBL6564544

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.41
LMNA P02545 5/20 0.40
MAPT P10636 5/20 0.40
POLB P06746 2/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
P2RX1 P51575 1/20 0.37
CETP P11597 1/20 0.37
TBXA2R P21731 1/20 0.37
CTSA P10619 1/20 0.37
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL6566648 0.90 MAPT (0.41) RORCLMNAMAPTALDH1A1KMT2A
SCHEMBL6566827 0.90 RORC (0.45) RORCLMNAMAPTPOLBNPSR1
SCHEMBL6567993 0.90 RORC (0.44) RORCLMNAMAPTPOLBALDH1A1
SCHEMBL6564432 0.90 MEN1 (0.45) RORCLMNAMAPTPOLBALDH1A1
SCHEMBL6565839 0.89 MEN1 (0.44) LMNAMAPTPOLBALDH1A1KMT2A
SCHEMBL6565636 0.88 MAPT (0.43) LMNAMAPTPOLBALDH1A1KMT2A
SCHEMBL6565695 0.88 KMT2A (0.43) LMNAMAPTPOLBALDH1A1KMT2A
SCHEMBL6564654 0.85 MEN1 (0.41) RORCLMNAMAPTPOLBMRGPRX4
SCHEMBL6567751 0.85 CFTR (0.42) RORCLMNAMAPTMRGPRX4ALDH1A1
SCHEMBL6564797 0.85 MAPT (0.41) LMNAMAPTPOLBALDH1A1KMT2A

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 829/4885LMNA 4043/4885MAPT 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.