SCHEMBL11914751

SCHEMBL11914751

CC(C)c1nnc2c([N+](=O)[O-])cccn12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
APEX1 P27695 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
HSD17B10 Q99714 1/20 0.36
ESRRA P11474 1/20 0.34
TSHR P16473 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
GPR35 Q9HC97 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL12510368 0.80 TDP1 (0.44) TDP1KMT2AALDH1A1NPC1RAB9A
SCHEMBL12913572 0.74 HSD11B1 (0.49) KMT2AALDH1A1MAPTTSHRL3MBTL1
SCHEMBL937090 0.74 LMNA (0.32) TDP1KMT2AALDH1A1NPC1RAB9A
SCHEMBL19917039 0.69 HSD11B1 (0.50) ALDH1A1NPC1RAB9AMAPK1GAA
SCHEMBL13824974 0.66 LTK (0.53) TDP1KMT2AALDH1A1NPC1RAB9A
SCHEMBL4793316 0.65 ALDH1A1 (0.40) TDP1KMT2AALDH1A1NPC1RAB9A
SCHEMBL11914745 0.65 ALDH1A1 (0.46) KMT2AALDH1A1NPC1RAB9AMEN1
Isobutane SCHEMBL27875598 0.64 HSD17B10 (0.62) TDP1KMT2AALDH1A1NPC1RAB9A
SCHEMBL10611088 0.64 ATP4A (0.50) TDP1KMT2AALDH1A1NPC1RAB9A
SCHEMBL16225016 0.63 TDP1 (0.58) TDP1KMT2AALDH1A1NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557841-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-15 US disclosed
US-20120252799-A1 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-04 US disclosed
US-20120252799-A1 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-04 US disclosed
US-8232291-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-31 US disclosed
US-20110224199-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 US disclosed
US-7977353-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-12 US disclosed
US-7910601-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
US-20100305114-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-02 US disclosed
US-7799801-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-21 US disclosed
US-20100016233-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-21 US disclosed
US-20090324625-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-31 US disclosed
US-7592354-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-7589102-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-15 US disclosed
US-7166596-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-7166596-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US 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-20090324625-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R TDP1 4096/4885KMT2A 3273/4885ALDH1A1 3846/4885
US-20100016233-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R TDP1 4096/4885KMT2A 3273/4885ALDH1A1 3846/4885
US-20110224199-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R TDP1 4096/4885KMT2A 3273/4885ALDH1A1 3846/4885
US-20120252799-A1 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES GHSR, GHRHR, NPY1R TDP1 4096/4885KMT2A 3273/4885ALDH1A1 3846/4885
US-20100305114-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R TDP1 4096/4885KMT2A 3273/4885ALDH1A1 3846/4885

“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.