SCHEMBL3090261

SCHEMBL3090261

CC(C)C(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.56
MEN1 O00255 6/20 0.56
MAPT P10636 7/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
CES2 O00748 1/20 0.51
ABCB11 O95342 1/20 0.51
CYP1A2 P05177 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
AR P10275 1/20 0.51
CHRM1 P11229 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
TBXA2R P21731 1/20 0.51

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
SCHEMBL11643606 0.96 KMT2A (0.59) KMT2AMEN1MAPTPOLBGAA
SCHEMBL3207627 0.83 KMT2A (0.78) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL6918119 0.82 MAPT (0.70) KMT2AMEN1MAPTPOLBGAA
SCHEMBL7335938 0.79 SMN1; SMN2 (0.69) KMT2AMEN1MAPTPOLBGAA
SCHEMBL2711047 0.79 MAPT (0.50) KMT2AMEN1MAPTPOLBGAA
SCHEMBL13391095 0.79 KMT2A (0.64) KMT2AMEN1MAPTPOLBGAA
SCHEMBL1948876 0.78 KMT2A (0.67) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL10876897 0.78 LMNA (0.49) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL26885118 0.78 MAPT (0.61) KMT2AMEN1MAPTPOLBGAA
SCHEMBL9652246 0.77 ALOX5 (0.54) KMT2AMEN1MAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592738-B1 RESIN COMPOSITIONS CIBA HOLDING INC (CH) 2020-07-29 EP disclosed
US-7790793-B2 Amide nucleating agent compositions CIBA SPECIALTY CHEM. CORP. (US) 2010-09-07 US disclosed
CN-100344681-C Resin compositions CIBA SC HOLDING AG (CH) 2007-10-24 CN disclosed
US-20070149663-A1 Resin compositions CIBA SPECIALTY CHEMICALS CORP. 2007-06-28 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
CN-1747995-A Resin compositions CIBA SC HOLDING AG (CH) 2006-03-15 CN disclosed
EP-1592738-A2 RESIN COMPOSITIONS Ciba SC Holding AG (CH) 2005-11-09 EP disclosed
WO-2004072168-A2 RESIN COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-08-26 WO 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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 KMT2A 1449/4885MEN1 3032/4885MAPT 3082/4885

“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.