SCHEMBL18976144

SCHEMBL18976144

CN(C)C(=O)c1cc([N+](=O)[O-])cn1C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
AR P10275 8/20 0.43
HKDC1 Q2TB90 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL18976150 0.83 AR (0.58) KMT2AHTTHPGDARLMNA
SCHEMBL4486085 0.82 AR (0.42) KMT2AHTTMEN1HPGDNPSR1
SCHEMBL12438322 0.81 MAPK1 (0.44) KMT2AHTTMEN1L3MBTL1AR
SCHEMBL1662655 0.81 AR (0.51) KMT2AMEN1L3MBTL1ARALDH1A1
SCHEMBL2114774 0.79 AR (0.51) KMT2AMEN1L3MBTL1ARLMNA
Hydrochloric Acid SCHEMBL6151019 0.79 AR (0.50) KMT2AMEN1L3MBTL1ARALDH1A1
SCHEMBL2399432 0.79 ALDH1A1 (0.43) KMT2AHTTMEN1L3MBTL1AR
SCHEMBL5750827 0.79 AR (0.40) KMT2AHTTMEN1HPGDNPSR1
SCHEMBL27520536 0.78 AR (0.39) KMT2AHTTMEN1L3MBTL1AR
SCHEMBL2388875 0.77 MEN1 (0.44) KMT2AHTTMEN1ARALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640507-B2 PBD antibacterial agents KING'S COLLEGE LONDON (GB) 2020-05-05 US disclosed
US-10640507-B2 PBD antibacterial agents KING'S COLLEGE LONDON (GB) 2020-05-05 US disclosed
US-20180354958-A1 PBD ANTIBACTERIAL AGENTS Secretary of State for Health and Social Care (GB) 2018-12-13 US disclosed
WO-2017098257-A1 PBD ANTIBACTERIAL AGENTS KING'S COLLEGE LONDON (GB) 2017-06-15 WO 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 (2 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-10640507-B2 PBD antibacterial agents OPRD1, XDH, SBDS KMT2A 3038/4885HTT 4805/4885MEN1 3217/4885
US-20180354958-A1 PBD ANTIBACTERIAL AGENTS OPRD1, XDH, SBDS KMT2A 3038/4885HTT 4805/4885MEN1 3217/4885

“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.