SCHEMBL6568015

SCHEMBL6568015

CCC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(CC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDR P35968 1/20 0.48
CYP19A1 P11511 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TLR3 O15455 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NTSR1 P30989 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL6567935 0.91 CYP19A1 (0.54) MAPTLMNAMEN1KMT2AKDR
SCHEMBL6564609 0.88 MAPT (0.48) MAPTLMNAMEN1KMT2AKDR
SCHEMBL6566656 0.88 CYP19A1 (0.56) MAPTLMNAMEN1KMT2AKDR
SCHEMBL6564473 0.88 CYP19A1 (0.56) MAPTLMNAMEN1KMT2AKDR
SCHEMBL6565761 0.81 PTGDR2 (0.59) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6568138 0.80 TP53 (0.42) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL6567847 0.80 MAPT (0.44) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6564598 0.79 SMN1; SMN2 (0.48) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL28216463 0.79 CYP19A1 (0.57) MAPTLMNAMEN1KMT2ACYP19A1
SCHEMBL6566711 0.79 CYP19A1 (0.46) MAPTLMNAMEN1KMT2ACYP19A1

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 MAPT 4743/4885LMNA 4043/4885MEN1 4143/4885

“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.