SCHEMBL2198250

SCHEMBL2198250

COCCOc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
GAA P10253 1/20 0.61
HTT P42858 1/20 0.61
MAPT P10636 5/20 0.60
TDP1 Q9NUW8 3/20 0.60
POLB P06746 1/20 0.60
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 4/20 0.46
NR1H4 Q96RI1 1/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.45

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
SCHEMBL2197885 0.89 MAPT (0.60) MAPK1NPSR1GAAHTTMAPT
SCHEMBL5174292 0.87 MAPT (0.78) MAPK1NPSR1GAAHTTMAPT
SCHEMBL5175720 0.86 MAPK1 (0.77) MAPK1NPSR1GAAHTTMAPT
SCHEMBL2198439 0.83 MAPT (0.59) MAPK1NPSR1GAAHTTMAPT
SCHEMBL2200102 0.81 KDM4E (0.46) MAPK1GAAMAPTTDP1POLB
SCHEMBL2196093 0.81 MAPK1 (0.49) MAPK1NPSR1GAAHTTMAPT
SCHEMBL2198966 0.78 MEN1 (0.49) MAPK1NPSR1GAAHTTMAPT
SCHEMBL5172484 0.78 MAPK1 (0.60) MAPK1NPSR1GAAHTTMAPT
SCHEMBL2195775 0.78 MAPK1 (0.64) MAPK1NPSR1GAAHTTMAPT
SCHEMBL2197543 0.78 MAPK13 (0.54) MAPK1MAPTKMT2AMEN1NPC1

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-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 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-20060166990-A1 Novel aminobenzophenone compounds NFKBIA, UACA, ALDH7A1 MAPK1 523/4885NPSR1 4004/4885GAA 2276/4885

“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.