SCHEMBL12239108

SCHEMBL12239108

Nc1nc(N)c(C(=O)/N=C2\NCC3(CCN(C(=O)NCCc4cccc(OCc5ccccc5)c4)CC3)N2)nc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
FAAH O00519 1/20 0.36
CYP2D6 P10635 2/20 0.34
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
EPHX2 P34913 2/20 0.33
OPRM1 P35372 2/20 0.33
IGF1R P08069 5/20 0.33
CHRM4 P08173 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL13353680 0.93 EPHX2 (0.36) ALDH1A1LMNAFAAHOPRD1OPRK1
SCHEMBL12239057 0.93 HDAC3 (0.38) ALDH1A1LMNAFAAHIGF1RHDAC3
SCHEMBL14553746 0.93 ALDH1A1 (0.39) ALDH1A1LMNAFAAHCYP2D6OPRD1
SCHEMBL1684555 0.93 ALDH1A1 (0.39) ALDH1A1LMNAFAAHCYP2D6OPRD1
SCHEMBL12238793 0.88 ALDH1A1 (0.37) ALDH1A1LMNACYP2D6EPHX2
SCHEMBL12239041 0.86 TPSAB1 (0.35) ALDH1A1LMNAOPRD1OPRK1EPHX2
SCHEMBL14553761 0.86 EPHX2 (0.36) ALDH1A1LMNAFAAHCYP2D6OPRD1
SCHEMBL14553751 0.86 FAAH (0.36) ALDH1A1LMNAFAAHOPRK1IGF1R
SCHEMBL19392801 0.86 ALDH1A1 (0.39) ALDH1A1LMNAFAAHCYP2D6OPRD1
SCHEMBL1684887 0.85 FAAH (0.36) FAAHOPRD1OPRK1IGF1RHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039472-B2 Pyrazine-2-carboxamide derivatives to treat diseases mediated by blockade of the epithelial sodium channel NOVARTIS AG (CH) 2011-10-18 US disclosed
US-20100130506-A1 Organic Compounds NOVARTIS AG 2010-05-27 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 (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-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E ALDH1A1 1317/4885LMNA 2001/4885FAAH 4378/4885

“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.