SCHEMBL2815560

SCHEMBL2815560

N#CC1(c2cccc(N)c2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MAP4K4 O95819 1/20 0.40
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
OPRM1 P35372 3/20 0.38
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL6203572 0.98 KMT2A (0.42) KMT2AMAP4K4NPC1ALDH1A1RAB9A
SCHEMBL3225917 0.96 KMT2A (0.43) KMT2AMAP4K4NPC1ALDH1A1RAB9A
SCHEMBL2816850 0.93 KMT2A (0.45) KMT2ACYP3A4CASP1RECQLOPRM1
SCHEMBL11708337 0.83 PDE4A (0.44) KMT2AALDH1A1MEN1CYP3A4CASP1
SCHEMBL11704967 0.81 SLC6A3 (0.41) KMT2ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL15862897 0.79 SLC6A4 (0.50) KMT2AMAP4K4NPC1ALDH1A1RAB9A
SCHEMBL1018956 0.79 SLC6A4 (0.46) KMT2AMAP4K4NPC1ALDH1A1RAB9A
SCHEMBL15866986 0.79 KMT2A (0.47) KMT2ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL17632371 0.79 WDR5 (0.46) KMT2ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1020648 0.77 SLC6A4 (0.49) KMT2ANPC1ALDH1A1RAB9ASMN1; SMN2

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
US-8835461-B2 Substituted 3-hydroxy-4-pyridone derivative SHIONOGI & CO., LTD. (JP) 2014-09-16 US disclosed
US-8835461-B2 Substituted 3-hydroxy-4-pyridone derivative SHIONOGI & CO., LTD. (JP) 2014-09-16 US disclosed
EP-2412708-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-02-01 EP disclosed
US-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 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-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE ENDOD1, CNBP, DPP4 KMT2A 3094/4885MAP4K4 1156/4885NPC1 3128/4885
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG KMT2A 1767/4885MAP4K4 3026/4885NPC1 3400/4885

“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.