SCHEMBL12239057

SCHEMBL12239057

Nc1nc(N)c(C(=O)/N=C2\NCC3(CCN(C(=O)NCc4cccc(OCc5ccccc5)c4)CC3)N2)nc1I

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
FAAH O00519 1/20 0.37
IGF1R P08069 4/20 0.36
MMP13 P45452 2/20 0.36
NAMPT P43490 2/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KIT P10721 1/20 0.33
MGLL Q99685 1/20 0.33
GRIN2B Q13224 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
SCHEMBL12239108 0.93 ALDH1A1 (0.40) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL14553751 0.92 FAAH (0.36) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL1684892 0.92 FAAH (0.36) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL1684887 0.92 FAAH (0.36) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL13353220 0.90 GID4 (0.36) FAAHNAMPTALDH1A1LMNASMN1; SMN2
SCHEMBL12744334 0.88 KIT (0.38) FAAHNAMPTSMN1; SMN2KIT
SCHEMBL13353680 0.87 EPHX2 (0.36) FAAHALDH1A1LMNA
SCHEMBL14553746 0.86 ALDH1A1 (0.39) FAAHIGF1RKDM4EALDH1A1LMNA
SCHEMBL1684555 0.85 ALDH1A1 (0.39) FAAHIGF1RALDH1A1LMNA
SCHEMBL19392748 0.85 MMP13 (0.35) HDAC3HDAC1HDAC2HDAC10HDAC11

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 3 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-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2011-09-29 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 (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-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives SCNN1B, SCNN1A, SCNN1G HDAC3 471/4885HDAC1 594/4885HDAC2 497/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E HDAC3 1232/4885HDAC1 1336/4885HDAC2 2223/4885

“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.