SCHEMBL5147100

SCHEMBL5147100

O=C(O)NCC#Cc1cncc2ccc(C(=O)NCc3ccco3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 5/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
RAB9A P51151 7/20 0.44
POLB P06746 4/20 0.44
KDM4E B2RXH2 3/20 0.44
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
SCN9A Q15858 1/20 0.42
NPC1 O15118 4/20 0.42
HTT P42858 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
USP2 O75604 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 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
SCHEMBL4580790 0.89 ALDH1A1 (0.49) ALDH1A1TDP1KMT2AMAPTMEN1
SCHEMBL4581515 0.87 ALDH1A1 (0.42) ALDH1A1TDP1KMT2AMAPTMEN1
SCHEMBL4578733 0.86 GRM5 (0.54) ALDH1A1TDP1KMT2AMAPTMEN1
SCHEMBL5260889 0.85 TDP1 (0.45) ALDH1A1TDP1KMT2AMAPTMEN1
SCHEMBL4581450 0.85 ALDH1A1 (0.44) ALDH1A1TDP1KMT2AMAPTMEN1
SCHEMBL4581265 0.85 ALDH1A1 (0.53) ALDH1A1TDP1KMT2AMAPTMEN1
SCHEMBL14266821 0.78 ALDH1A1 (0.55) ALDH1A1TDP1KMT2AMAPTMEN1
SCHEMBL4579023 0.76 ALDH1A1 (0.50) ALDH1A1TDP1KMT2AMAPTMEN1
SCHEMBL4580889 0.76 MAPT (0.59) ALDH1A1TDP1KMT2AMAPTMEN1
SCHEMBL4580503 0.73 ALDH1A1 (0.52) ALDH1A1TDP1KMT2AMAPTMEN1

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-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US claimed
US-20060030584-A1 2,8-Disubstituted naphthyridine derivatives SERENEX, INC. 2006-02-09 US claimed

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-20060030584-A1 2,8-Disubstituted naphthyridine derivatives CCNA1, FOXM1, CCNA2 ALDH1A1 107/4885TDP1 1968/4885KMT2A 2613/4885

“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.