SCHEMBL1145245

SCHEMBL1145245

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
PHLPP2 Q6ZVD8 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HSD17B10 Q99714 2/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RECQL P46063 1/20 0.44
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
LMNA P02545 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
SCHEMBL1145243 0.82 MAPT (0.47) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL254528 0.79 ALDH1A1 (0.56) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL1934172 0.78 TSHR (0.53) MAPTL3MBTL1TSHRTDP1ACHE
Ammonia Solution, Strong SCHEMBL4826153 0.78 ALDH1A1 (0.50) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL7195325 0.77 HSD17B10 (0.54) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL11695567 0.77 HSD17B10 (0.54) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL15617656 0.76 ALDH1A1 (0.56) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL27855209 0.75 HSD17B10 (0.64) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL811522 0.75 ALDH1A1 (0.52) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL353942 0.75 ALDH1A1 (0.52) MAPTL3MBTL1MAPK1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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 (4 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 MAPT 1136/4885L3MBTL1 1511/4885MAPK1 26/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 MAPT 4601/4885L3MBTL1 4050/4885MAPK1 661/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 MAPT 4628/4885L3MBTL1 4194/4885MAPK1 577/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR MAPT 4420/4885L3MBTL1 4387/4885MAPK1 956/4885

“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.