SCHEMBL23258271

SCHEMBL23258271

COC(=O)c1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
EGFR P00533 2/20 0.55
PIK3CA P42336 2/20 0.55
NHERF1 O14745 1/20 0.53
MAPT P10636 5/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 2/20 0.53
POLB P06746 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
IRAK4 Q9NWZ3 1/20 0.52
BLM P54132 1/20 0.49
PKM P14618 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.47
SETD7 Q8WTS6 1/20 0.47

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
SCHEMBL23258395 0.88 MEN1 (0.57) MEN1KMT2AEGFRPIK3CANHERF1
SCHEMBL23258734 0.87 NHERF1 (0.55) MEN1KMT2AEGFRPIK3CANHERF1
SCHEMBL6019366 0.83 POLB (0.64) MEN1KMT2AEGFRPIK3CANHERF1
SCHEMBL21446858 0.83 RAB9A (0.63) MEN1KMT2AEGFRPIK3CANHERF1
SCHEMBL16494872 0.82 MEN1 (0.81) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL6323164 0.81 HRH4 (0.58) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL28081980 0.81 TP53 (0.69) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL28082015 0.79 MAOA (0.59) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL5087401 0.79 MMP13 (0.65) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL5087407 0.79 LEF1 (0.55) MEN1KMT2AMAPTALDH1A1RAB9A

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-20210115007-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-04-22 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-20210115007-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY UGGT1, UGCG, GLA MEN1 4749/4885KMT2A 2232/4885EGFR 4484/4885

“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.