SCHEMBL4579596

SCHEMBL4579596

O=C(NCc1ccco1)c1ccc2cncc(-c3ccc(C(=O)O)s3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
KMT2A Q03164 6/20 0.46
TDP1 Q9NUW8 4/20 0.46
MEN1 O00255 4/20 0.46
HPGD P15428 7/20 0.44
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 4/20 0.43
PKM P14618 2/20 0.43
KDM4E B2RXH2 3/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 3/20 0.42
CYP1A2 P05177 2/20 0.42
GLA P06280 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 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
SCHEMBL4581883 0.86 AKT3 (0.44) ALDH1A1KMT2ATDP1MEN1HPGD
SCHEMBL14286997 0.85 ALDH1A1 (0.44) ALDH1A1KMT2ATDP1MEN1HPGD
SCHEMBL4580810 0.85 ALDH1A1 (0.42) ALDH1A1KMT2ATDP1MEN1HPGD
SCHEMBL14266823 0.83 ALDH1A1 (0.59) ALDH1A1KMT2ATDP1MEN1HPGD
SCHEMBL5317484 0.79 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1MEN1HPGD
SCHEMBL4580001 0.78 CCNC (0.51) ALDH1A1TDP1HPGDRAB9ANPC1
SCHEMBL4579213 0.78 CCNC (0.48) ALDH1A1KMT2ATDP1MEN1HPGD
SCHEMBL14266821 0.78 ALDH1A1 (0.55) ALDH1A1KMT2ATDP1MEN1HPGD
Hydrochloric Acid SCHEMBL4581072 0.78 CCNC (0.50) ALDH1A1TDP1HPGDRAB9ANPC1
SCHEMBL4581265 0.76 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US disclosed
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed
EP-1773834-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES Serenex, Inc. (US) 2007-04-18 EP disclosed
WO-2006017672-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES SERENEX INC. (US) 2006-02-16 WO disclosed
US-20060030584-A1 2,8-Disubstituted naphthyridine derivatives SERENEX, INC. 2006-02-09 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-20060030584-A1 2,8-Disubstituted naphthyridine derivatives CCNA1, FOXM1, CCNA2 ALDH1A1 107/4885KMT2A 2613/4885TDP1 1968/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 ALDH1A1 107/4885KMT2A 2613/4885TDP1 1968/4885

“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.