SCHEMBL9944848

SCHEMBL9944848

CCNC(=O)c1cc([N+](=O)[O-])c(NC)cc1Nc1ccc(F)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
EGFR P00533 4/20 0.41
TSHR P16473 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
ARNT P27540 1/20 0.40
EPAS1 Q99814 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
HTT P42858 2/20 0.39
PTGES O14684 1/20 0.39
GAA P10253 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
SCHEMBL9944834 0.84 EGFR (0.49) MEN1KMT2AMAPTALDH1A1EGFR
SCHEMBL9944849 0.83 IDO1 (0.45) MEN1KMT2AEGFRTSHRNPC1
SCHEMBL9944856 0.82 PTGES (0.39) MEN1KMT2AMAPTALDH1A1EGFR
SCHEMBL9944752 0.79 HCAR3 (0.43) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL9899351 0.79 FADS1 (0.49) MEN1KMT2AMAPTALDH1A1EGFR
SCHEMBL9945002 0.79 FADS1 (0.49) MEN1KMT2AMAPTALDH1A1EGFR
SCHEMBL9944732 0.76 EGFR (0.51) MEN1KMT2AMAPTALDH1A1EGFR
SCHEMBL9946610 0.75 PTGES (0.50) MEN1KMT2ATSHRMAPK13MAPK12
SCHEMBL9944830 0.74 PTGES (0.47) MEN1KMT2AMAPTALDH1A1EGFR
SCHEMBL10169864 0.73 EGFR (0.50) MEN1KMT2AMAPTALDH1A1EGFR

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-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES MEN1 4598/4885KMT2A 3376/4885MAPT 4336/4885

“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.