SCHEMBL4511665

SCHEMBL4511665

NC(=O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
CYP3A4 P08684 3/20 0.54
MAPT P10636 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
VCAM1 P19320 1/20 0.44
SLC9A1 P19634 1/20 0.43
PARP1 P09874 1/20 0.42
GPR35 Q9HC97 2/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CASP1 P29466 1/20 0.41
PDE7A Q13946 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 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
SCHEMBL6573505 0.91 KMT2A (0.53) KMT2ACYP3A4MAPTBLMPMP22
SCHEMBL3422244 0.91 CYP3A4 (0.57) KMT2ACYP3A4MAPTBLMPMP22
SCHEMBL27686809 0.87 KMT2A (0.57) KMT2ACYP3A4MAPTBLMPMP22
SCHEMBL16117987 0.86 CYP3A4 (0.49) KMT2ACYP3A4MAPTBLMPMP22
SCHEMBL8810085 0.85 MAPT (0.54) KMT2ACYP3A4MAPTBLMPMP22
SCHEMBL8597606 0.85 KMT2A (0.54) KMT2ACYP3A4MAPTBLMPMP22
SCHEMBL3902768 0.82 DTYMK (0.51) KMT2ACYP3A4ALDH1A1LMNAVCAM1
SCHEMBL8138894 0.82 VCAM1 (0.46) KMT2ACYP3A4ALDH1A1LMNAVCAM1
SCHEMBL9744165 0.81 CA12 (0.50) CYP3A4MAPTALDH1A1LMNAVCAM1
SCHEMBL6814702 0.80 ALDH1A1 (0.62) KMT2ACYP3A4MAPTBLMPMP22

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED 2009-12-24 US 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-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY TP53, AZI2, MCL1 KMT2A 475/4885CYP3A4 1221/4885MAPT 4852/4885

“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.