SCHEMBL3508341

SCHEMBL3508341

O=C(O)NCCCn1cccn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
KMT2A Q03164 1/20 0.43
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
THRB P10828 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NAMPT P43490 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL29004722 0.89 KMT2A (0.47) KMT2ALMNATHRBNAMPTHDAC1
SCHEMBL8187886 0.78 FDPS (0.42) KMT2ALMNATHRBHDAC1HDAC6
SCHEMBL19051605 0.77 KMT2A (0.45) FPR3FPR2KMT2ATLR8TLR7
SCHEMBL4755907 0.77 TDP1 (0.48) KMT2AALDH1A1
SCHEMBL29410988 0.77 NAAA (0.56) NAMPTHDAC1HDAC6
Hydrochloric Acid SCHEMBL8187346 0.77 FDPS (0.41) KMT2ALMNATHRBHDAC1HDAC6
SCHEMBL3489062 0.77 TBXAS1 (0.42) KMT2ALMNATHRBHTT
SCHEMBL11726168 0.76 NAMPT (0.53) KDM4ENAMPTEGLN1HDAC1HDAC6
SCHEMBL5521617 0.75 TBXAS1 (0.49) LMNATHRBHTT
SCHEMBL7100687 0.74 DAO (0.43) TLR8TLR7THRBALDH1A1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 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-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND NR0B2, NR0B1, NR4A3 FPR3 14/4885FPR2 88/4885KMT2A 1305/4885

“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.