SCHEMBL16503535

SCHEMBL16503535

C=C(C)CC(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 6/20 0.47
HPGD P15428 1/20 0.46
KDM4E B2RXH2 2/20 0.45
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL27725933 0.86 MAPT (0.53) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL3714135 0.81 FFAR1 (0.53) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL5690769 0.81 FFAR1 (0.53) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL173199 0.80 ALDH1A1 (0.50) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL16806060 0.80 ALDH1A1 (0.50) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL16806066 0.80 ALDH1A1 (0.50) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL6554242 0.79 ALDH1A1 (0.53) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL5692343 0.78 MAPT (0.66) MAPTKMT2AALDH1A1KDM4ELMNA
SCHEMBL5692340 0.78 MAPT (0.66) MAPTKMT2AALDH1A1KDM4ELMNA
SCHEMBL4710743 0.78 GAA (0.52) MAPTKMT2AMEN1NPC1ALDH1A1

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-9079869-B2 Chiral disulfonimides STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-07-14 US disclosed
US-20110313150-A1 CHIRAL DISULFONIMIDES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-12-22 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-20110313150-A1 CHIRAL DISULFONIMIDES STS, SUDS3, SF1 MAPT 4525/4885KMT2A 3397/4885MEN1 1578/4885

“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.