Hexane

Hexane

SCHEMBL1725528

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

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGDS O60760 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TLR8 Q9NR97 1/20 0.44
EIF4A1 P60842 2/20 0.43
HSPB1 P04792 1/20 0.41
CYP11B1 P15538 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL1723569 0.91 MAPT (0.57) MAPTMEN1KMT2AHPGDSNPC1
SCHEMBL14019155 0.78 KMT2A (0.48) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL6231939 0.78 RAB9A (0.60) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6237830 0.77 RAB9A (0.57) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL14988369 0.76 NPC1 (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5049966 0.75 EIF4A1 (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6239437 0.74 KMT2A (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL3135082 0.74 KEAP1 (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL14988473 0.74 MAPT (0.44) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1337055 0.74 MAPT (0.55) MAPTMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-9238646-B2 N-(hetero)aryl, 2-(hetero)aryl-substituted acetamides for use as WNT signaling modulators NOVARTIS AG (CH) 2016-01-19 US disclosed
EP-2623493-B1 N-(HETERO)ARYL,2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS NOVARTIS AG (CH) 2015-04-22 EP disclosed
US-20130310375-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS IRM LLC (BM) 2013-11-21 US disclosed
EP-2403832-B1 N-(HETERO)ARYL,2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS IRM LLC (BM) 2013-11-20 EP 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
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
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-20130310375-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS WNT1, WNT3A, WNT3 MAPT 3195/4885MEN1 4812/4885KMT2A 2011/4885
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-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.