SCHEMBL1423213

SCHEMBL1423213

CCCCCNC(=O)c1ncccc1N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.51
GRM4 Q14833 1/20 0.48
ALOX12 P18054 1/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
ASAH1 Q13510 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.45
MLYCD O95822 1/20 0.45
ALOX15 P16050 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL1423557 0.84 EGLN2 (0.60) NAAAALOX12KDM4ESMN1; SMN2HTT
SCHEMBL31500526 0.84 NAAA (0.52) NAAAALOX12KDM4ESMN1; SMN2HTT
SCHEMBL6172165 0.83 GRM4 (0.50) GRM4KDM4EHTTL3MBTL1
SCHEMBL14284344 0.83 NAAA (0.61) NAAAALOX12KDM4EHTTTSHR
SCHEMBL9967355 0.83 NAAA (0.55) NAAAALOX12KDM4ESMN1; SMN2HTT
SCHEMBL9626697 0.83 NAAA (0.61) NAAAALOX12KDM4EHTTTSHR
SCHEMBL1423157 0.83 HPGD (0.55) NAAAALOX12KDM4ESMN1; SMN2HTT
SCHEMBL9626528 0.83 NAAA (0.61) NAAAALOX12KDM4EHTTTSHR
SCHEMBL9628271 0.83 NAAA (0.61) NAAAALOX12KDM4EHTTTSHR
SCHEMBL3505147 0.82 GRM4 (0.49) GRM4KDM4ERAB9ATSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227613-B2 Heteroaryl carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
EP-2297137-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
US-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
WO-2009153182-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 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 (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-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES CCR3, CCR2, CCR1 NAAA 2270/4885GRM4 319/4885ALOX12 3368/4885

“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.