SCHEMBL1723569

SCHEMBL1723569

O=[N+]([O-])c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HPGDS O60760 1/20 0.54
HSPB1 P04792 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
IDO1 P14902 2/20 0.44
ALOX12 P18054 1/20 0.44
TAAR1 Q96RJ0 2/20 0.44
CYP11B1 P15538 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
MAP4K4 O95819 1/20 0.42

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
Hexane SCHEMBL1725528 0.91 MAPT (0.49) MAPTMEN1KMT2AHPGDSHSPB1
SCHEMBL6231939 0.86 RAB9A (0.60) MAPTNPC1RAB9AIDO1ALDH1A1
SCHEMBL14019155 0.86 KMT2A (0.48) MAPTMEN1KMT2AHSPB1ALOX12
SCHEMBL14988369 0.83 NPC1 (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6237830 0.82 RAB9A (0.57) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6239437 0.82 KMT2A (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL14988514 0.81 SCN2A (0.59) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL8702382 0.81 MEN1 (0.56) MAPTMEN1KMT2AHSPB1NPC1
SCHEMBL71038 0.80 LMNA (0.54) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL16835955 0.80 MAPT (0.47) MAPTMEN1KMT2AHSPB1NPC1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021121420-A1 BENZOPYRAZOLE COMPOUND AND INTERMEDIATE, PREPARATION METHOD, AND APPLICATION THEREOF 江苏凯迪恩医药科技有限公司 2021-06-24 WO disclosed
US-10251893-B2 N-(hetero)aryl, 2-(hetero)aryl-substituted acetamides for use as Wnt signaling modulators NOVARTIS AG (CH) 2019-04-09 US disclosed
US-9981964-B2 Maleimide derivatives as modulators of wnt pathway AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-05-29 US disclosed
CN-106061974-B Maleimide derivatives as the conditioning agent of WNT approach 新加坡科技研究局 2018-04-20 CN disclosed
EP-3083622-B1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY SCIENCE TECH & RES (SG) 2018-03-21 EP disclosed
US-20180000832-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS NOVARTIS AG (CH) 2018-01-04 US disclosed
US-20180000832-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS NOVARTIS AG (CH) 2018-01-04 US disclosed
US-20160318926-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-11-03 US disclosed
EP-3083622-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY Agency For Science, Technology And Research (SG) 2016-10-26 EP disclosed
US-20160082014-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS NOVARTIS AG (CH) 2016-03-24 US disclosed
US-8546396-B2 N-(hetero)aryl, 2-(hetero)aryl—substituted acetamides for use as Wnt signaling modulators IRM LLC (BM) 2013-10-01 US disclosed
EP-2623493-A1 N-(hetero)aryl,2-(hetero)aryl-substituted acetamides for use as WNT signaling modulators IRM LLC (BM) 2013-08-07 EP disclosed
CN-102731379-A N- (hetero)aryl, 2- (hetero)aryl-substituted acetamides for use as wnt signaling modulators IRM LLC 2012-10-17 CN disclosed
CN-102369187-A N- (hetero) aryl, 2- (hetero) aryl substituted acetamides as WNT signal modulators IRM LLC 2012-03-07 CN disclosed
EP-2403832-A1 N- (HETERO)ARYL, 2- (HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS IRM LLC (BM) 2012-01-11 EP disclosed
US-20110237573-A1 N- (HETERO)ARYL, 2- (HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS IRM LLC (BM) 2011-09-29 US disclosed
US-20110237573-A1 N- (HETERO)ARYL, 2- (HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS IRM LLC (BM) 2011-09-29 US disclosed
US-20110237573-A1 N- (HETERO)ARYL, 2- (HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS IRM LLC (BM) 2011-09-29 US disclosed
WO-2010101849-A1 N- (HETERO)ARYL, 2- (HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS IRM LLC (BM) 2010-09-10 WO disclosed
WO-2010101849-A1 N- (HETERO)ARYL, 2- (HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS IRM LLC (BM) 2010-09-10 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-20160082014-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS WNT1, CTNNB1, CTNNA1 MAPT 4071/4885MEN1 4351/4885KMT2A 1354/4885
US-10251893-B2 N-(hetero)aryl, 2-(hetero)aryl-substituted acetamides for use as Wnt signaling modulators WNT1, CTNNB1, CTNNA1 MAPT 4071/4885MEN1 4351/4885KMT2A 1354/4885
US-20180000832-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS WNT1, CTNNB1, CTNNA1 MAPT 4071/4885MEN1 4351/4885KMT2A 1354/4885
US-20160318926-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY WNT1, WNT3, CTNNB1 MAPT 632/4885MEN1 157/4885KMT2A 3772/4885
US-20110237573-A1 N- (HETERO)ARYL, 2- (HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS WNT1, CTNNB1, WNT3A MAPT 4134/4885MEN1 4515/4885KMT2A 1020/4885

“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.