SCHEMBL6565819

SCHEMBL6565819

CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 6/20 0.45
HPGD P15428 1/20 0.45
TBXA2R P21731 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 2/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
KCNMA1 Q12791 1/20 0.42
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 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
SCHEMBL6567723 0.83 MEN1 (0.52) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL6566961 0.83 KMT2A (0.48) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL6567985 0.83 CTSV (0.53) MEN1KMT2AMAPTHPGDCYP1A2
SCHEMBL6567911 0.83 MEN1 (0.44) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL6566983 0.81 MAPT (0.39) SMN1; SMN2MEN1KMT2AMAPTCYP1A2
SCHEMBL6565654 0.81 MEN1 (0.49) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL6567009 0.80 MAPT (0.47) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL6566027 0.79 MEN1 (0.47) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL6564977 0.78 MAPT (0.46) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL6565314 0.78 MEN1 (0.47) SMN1; SMN2MEN1KMT2AMAPTHPGD

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 SMN1; SMN2 2126/4885MEN1 4143/4885KMT2A 3137/4885

“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.