SCHEMBL3313102

SCHEMBL3313102

COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3cccc([N+](=O)[O-])c3)C2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.61
MAPT P10636 4/20 0.58
LMNA P02545 3/20 0.54
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
RECQL P46063 1/20 0.53
MAPK1 P28482 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 2/20 0.51
PGR P06401 1/20 0.51
HTT P42858 1/20 0.49
TERT O14746 1/20 0.48

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
SCHEMBL3313082 0.94 MAOA (0.65) MAOAMAPTLMNAMEN1KMT2A
SCHEMBL3312148 0.88 MAPT (0.74) MAOAMAPTLMNAMEN1KMT2A
SCHEMBL3316302 0.87 MAOA (0.66) MAOAMAPTLMNAMEN1KMT2A
SCHEMBL3313161 0.84 MAOA (0.84) MAOAMAPTLMNAMEN1KMT2A
SCHEMBL3312424 0.82 MAOA (0.77) MAOAMAPTLMNAMEN1KMT2A
SCHEMBL28674208 0.82 MAOA (0.63) MAOAMAPTLMNAMEN1KMT2A
SCHEMBL3319382 0.81 MAOA (0.65) MAOAMAPTLMNAMEN1KMT2A
SCHEMBL3316280 0.80 KMT2A (0.71) MAOAMAPTLMNAMEN1KMT2A
SCHEMBL3314136 0.80 MAOA (0.71) MAOAMAPTLMNAMEN1KMT2A
SCHEMBL23052546 0.79 KMT2A (0.64) MAOAMAPTLMNAMEN1KMT2A

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-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 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-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS PDE4A, PDE4B, PDE4C MAOA 181/4885MAPT 4438/4885LMNA 3697/4885

“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.