SCHEMBL12707716

SCHEMBL12707716

O=C(Nc1cccnc1)c1ccc(C(=O)Nc2cccnc2)nc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.73
HIF1A Q16665 1/20 0.73
RAB9A P51151 5/20 0.71
NPC1 O15118 4/20 0.71
ALDH1A1 P00352 2/20 0.71
KDM4E B2RXH2 1/20 0.71
CYP11B1 P15538 5/20 0.70
CYP11B2 P19099 5/20 0.70
NAMPT P43490 6/20 0.67
GAA P10253 1/20 0.64
P4HTM Q9NXG6 1/20 0.63
POLB P06746 1/20 0.61
TRPV1 Q8NER1 1/20 0.61

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
SCHEMBL790983 0.88 CYP11B1 (0.71) LMNAHIF1ARAB9ANPC1KDM4E
SCHEMBL790699 0.86 NAMPT (0.73) LMNAHIF1ARAB9ANPC1CYP11B1
SCHEMBL1571386 0.85 LMNA (1.00) LMNAHIF1ARAB9ANPC1CYP11B1
SCHEMBL13096026 0.85 LMNA (0.69) LMNAHIF1ARAB9ANPC1CYP11B1
SCHEMBL13210581 0.83 ALDH1A1 (1.00) LMNARAB9ANPC1ALDH1A1KDM4E
SCHEMBL30834320 0.83 ALDH1A1 (1.00) LMNARAB9ANPC1ALDH1A1KDM4E
SCHEMBL29151323 0.83 PRKCI (0.61) LMNAHIF1ARAB9ANPC1ALDH1A1
SCHEMBL30354911 0.83 PRKCI (0.61) LMNAHIF1ARAB9ANPC1ALDH1A1
SCHEMBL10978857 0.83 CYP11B1 (1.00) LMNAHIF1ARAB9ANPC1KDM4E
SCHEMBL16496141 0.81 NAMPT (0.72) LMNAHIF1ARAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1932834-B1 Aromatic 1,4-DI-Carboxylamides and their use GENETICS CO INC (CH) 2011-04-27 EP disclosed
US-20100204219-A1 AROMATIC 1,4-DI-CARBOXYLAMIDES AND THEIR USE THE GENETICS COMPANY, INC. (CH) 2010-08-12 US disclosed
US-20100204219-A1 AROMATIC 1,4-DI-CARBOXYLAMIDES AND THEIR USE THE GENETICS COMPANY, INC. (CH) 2010-08-12 US disclosed
WO-2008071397-A1 AROMATIC 1,4-DI-CARBOXYLAMIDES AND THEIR USE THE GENETICS COMPANY INC. (CH) 2008-06-19 WO disclosed
EP-1932834-A1 Aromatic 1,4-DI-Carboxylamides and their use The Genetics Company, Inc. (CH) 2008-06-18 EP 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 (1 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-20100204219-A1 AROMATIC 1,4-DI-CARBOXYLAMIDES AND THEIR USE CBR3, CYCS, CYC1 LMNA 1013/4885HIF1A 1829/4885RAB9A 4749/4885

“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.