SCHEMBL7090489

SCHEMBL7090489

CC(=O)Nc1ccc(-c2ccccc2C(=O)C[N+](=O)[O-])c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.47
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
MAOA P21397 2/20 0.45
RAB9A P51151 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
DHODH Q02127 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.42
ADRA2A P08913 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL7089037 0.84 KMT2A (0.55) RORCALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL7085041 0.82 KMT2A (0.50) RORCALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL7091629 0.80 CYP2C19 (0.38) RORCALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL8211436 0.80 ALDH1A1 (0.45) RORCALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL7088791 0.79 KMT2A (0.37) RORCALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7088769 0.75 CYP2C19 (0.34) RORCALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL20165835 0.74 CYP3A4 (0.57) RORCALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL9652284 0.74 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL9389757 0.73 ERCC5 (0.56) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7088706 0.73 MEN1 (0.60) RORCALDH1A1SMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them MERCK PATENT GMBH (DE) 2003-09-11 US claimed
US-20030069312-A1 Antidiabetic agents LARDY CLAUDE (FR) 2003-04-10 US claimed
US-5932765-A REDUCTASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT (DE) 1999-08-03 US claimed

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-20030069312-A1 Antidiabetic agents SLC5A1, SLC5A2, GPR119 RORC 2368/4885ALDH1A1 33/4885SMN1; SMN2 4128/4885
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them AKR1B1, AKR1A1, AKR1C1 RORC 2018/4885ALDH1A1 63/4885SMN1; SMN2 3323/4885

“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.