SCHEMBL6564873

SCHEMBL6564873

CCC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 6/20 0.50
NPSR1 Q6W5P4 4/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 2/20 0.50
S1PR4 O95977 1/20 0.50
S1PR1 P21453 1/20 0.50
GPR35 Q9HC97 1/20 0.50
RORC P51449 2/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
POLB P06746 2/20 0.49
USP2 O75604 1/20 0.49
CASP6 P55212 1/20 0.49
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL14855055 0.81 MAPT (0.59) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL6567679 0.81 HDAC8 (0.47) MAPTNPSR1ALDH1A1LMNARAB9A
SCHEMBL6566711 0.80 CYP19A1 (0.46) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6564473 0.80 CYP19A1 (0.56) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6568015 0.79 MAPT (0.48) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL6567935 0.78 CYP19A1 (0.54) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6566656 0.77 CYP19A1 (0.56) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL6565761 0.77 PTGDR2 (0.59) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL30322736 0.76 LRRK2 (0.73) SMN1; SMN2
SCHEMBL19133738 0.76 LRRK2 (0.73) SMN1; 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.