SCHEMBL3737969

SCHEMBL3737969

CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.73
KMT2A Q03164 7/20 0.73
SMN1; SMN2 Q16637 1/20 0.65
FFAR1 O14842 1/20 0.64
KDM4E B2RXH2 1/20 0.59
MAPT P10636 4/20 0.58
LMNA P02545 2/20 0.58
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
POLB P06746 2/20 0.57
NPC1 O15118 2/20 0.57
GAA P10253 1/20 0.57
PKM P14618 1/20 0.57
MAPK1 P28482 1/20 0.57
RAB9A P51151 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MYOC Q99972 1/20 0.57
HTT P42858 1/20 0.57
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57

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
SCHEMBL5169625 0.88 FFAR1 (0.69) MEN1KMT2ASMN1; SMN2FFAR1KDM4E
SCHEMBL5169615 0.88 FFAR1 (0.69) MEN1KMT2ASMN1; SMN2FFAR1KDM4E
SCHEMBL10824904 0.87 FFAR1 (0.58) MEN1KMT2ASMN1; SMN2FFAR1KDM4E
SCHEMBL13192698 0.86 MAPT (0.69) MEN1KMT2ASMN1; SMN2FFAR1MAPT
SCHEMBL9367406 0.86 KMT2A (0.77) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL4367559 0.85 MEN1 (0.65) MEN1KMT2ASMN1; SMN2FFAR1MAPT
SCHEMBL22225262 0.85 FFAR1 (0.73) MEN1KMT2AFFAR1KDM4EMAPT
SCHEMBL14375415 0.85 MEN1 (0.61) MEN1KMT2ASMN1; SMN2FFAR1MAPT
SCHEMBL9162294 0.84 MTNR1B (0.77) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL17326722 0.84 CYP2C9 (0.60) MEN1KMT2ASMN1; SMN2POLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573079-A2 Benzimidazole quinolinones and uses thereof Novartis Vaccines and Diagnostics, Inc. (US) 2013-03-27 EP disclosed
US-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
US-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 US disclosed
EP-1539754-A4 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-02-25 EP disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
EP-1692085-A2 INHIBITION OF FGFR3 AND TREATMENT OF MULTIPLE MYELOMA Chiron Corporation (US) 2006-08-23 EP disclosed
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma CHIRON CORPORATION 2005-11-24 US disclosed
US-20050256157-A1 Combination therapy with CHK1 inhibitors CHIRON CORPORATION 2005-11-17 US disclosed
US-20050203101-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2005-09-15 US disclosed
EP-1539754-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF Chiron Corporation (US) 2005-06-15 EP disclosed
WO-2005047244-A2 INHIBITION OF FGFR3 AND TREATMENT OF MULTIPLE MYELOMA CHIRON CORPORATION (US) 2005-05-26 WO disclosed
US-20040092535-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2004-05-13 US disclosed
WO-2004018419-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF CHIRON CORPORATION (US) 2004-03-04 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 (5 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-20050256157-A1 Combination therapy with CHK1 inhibitors CHEK1, CHEK2, RAD1 MEN1 1441/4885KMT2A 2213/4885SMN1; SMN2 1651/4885
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma FGFR3, FGFR1, FGFR2 MEN1 319/4885KMT2A 2077/4885SMN1; SMN2 1216/4885
US-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 MEN1 2588/4885KMT2A 2211/4885SMN1; SMN2 2956/4885
US-20050203101-A1 Benzimidazole quinolinones and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, PBRM1 MEN1 1691/4885KMT2A 953/4885SMN1; SMN2 976/4885
US-20040092535-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 MEN1 2178/4885KMT2A 2237/4885SMN1; SMN2 2790/4885

“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.