SCHEMBL3285013

SCHEMBL3285013

Cn1c(=O)[nH]c2cccc(NCCCCc3ccccc3)c21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
MAOA P21397 1/20 0.48
CYP2C9 P11712 1/20 0.47
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
USP2 O75604 1/20 0.46
GRM2 Q14416 1/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
TYMP P19971 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
RECQL P46063 1/20 0.43
MDM2 Q00987 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL3285641 0.80 HTR1A (0.44) SMN1; SMN2USP2LMNAKDM4EPOLB
SCHEMBL25122976 0.77 MEN1 (0.51) SMN1; SMN2USP2LMNAMEN1KMT2A
SCHEMBL13459595 0.76 ADORA3 (0.37) TP53SMN1; SMN2USP2LMNAPOLB
SCHEMBL12628453 0.69 HTR1D (0.45) GRM2MAPK1TYMPGPR84
SCHEMBL8093196 0.68 L3MBTL1 (0.53) GRM2KDM4EMEN1KMT2A
SCHEMBL2004486 0.68 SRD5A2 (0.51) CYP2C9LMNAKDM4EPOLBMAPK1
SCHEMBL5956570 0.68 ERCC1 (0.48) MAOALMNAKDM4EPOLBALDH1A1
SCHEMBL30225507 0.68 MAPT (0.47) MAOBMAOALMNAPOLBMAPK1
SCHEMBL24709107 0.66 LMNA (0.66) CYP2C9SMN1; SMN2LMNAPOLBMAPK1
SCHEMBL19024390 0.66 ALDH1A1 (0.66) GRM2KDM4ERECQLTSHRALDH1A1

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-7714009-B2 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-20070135452-A1 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-14 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-20070135452-A1 Nitrogen-containing fused heterocyclic compounds NPY4R, NR4A3, NR3C2 MAOB 386/4885MAOA 441/4885CYP2C9 564/4885

“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.