SCHEMBL3603743

SCHEMBL3603743

Cc1ccc([N+](=O)[O-])c2cn(C(=O)OC(C)(C)C)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CTSB P07858 3/20 0.36
CTSH P09668 1/20 0.36
GSTP1 P09211 2/20 0.35
GSTM2 P28161 2/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 2/20 0.34
BRD4 O60885 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ALOX12 P18054 1/20 0.34
ADRA2B P18089 1/20 0.34

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
SCHEMBL28779387 0.82 SMN1; SMN2 (0.48) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL3593049 0.81 LMNA (0.37) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL3608534 0.80 ROCK2 (0.33) MEN1KMT2AMAPTLMNAHSP90AA1
SCHEMBL1559738 0.78 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL31106028 0.75 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL17856224 0.73 CYP2C9 (0.39) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL12725156 0.72 NR1H2 (0.39) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL20503558 0.68 F2 (0.54) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL20642480 0.68 BCHE (0.35) SMN1; SMN2HTTCHRM1CHRM3L3MBTL1
SCHEMBL13070808 0.68 BCHE (0.35) MEN1KMT2ASMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835476-B2 Synthesis of novel antimicrobials WU FAN (CA) 2014-09-16 US disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
EP-2057168-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 WO disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 WO disclosed
WO-2006092059-A1 DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS WU FAN (CA) 2006-09-08 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 (2 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-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MEN1 1330/4885KMT2A 3406/4885SMN1; SMN2 2603/4885
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 MEN1 4677/4885KMT2A 4407/4885SMN1; SMN2 4868/4885

“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.