SCHEMBL3515036

SCHEMBL3515036

O=C(c1cccc(-c2cc(=O)n(O)c3ncccc23)c1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.46
HPGD P15428 7/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ELANE P08246 2/20 0.42
ERN1 O75460 1/20 0.42
POLB P06746 1/20 0.42
ATR Q13535 1/20 0.42
ATRIP Q8WXE1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
BRD9 Q9H8M2 2/20 0.41
GAA P10253 1/20 0.41
BRD4 O60885 1/20 0.41
TAF1 P21675 1/20 0.41

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
SCHEMBL3514538 0.91 HPGD (0.50) SLC6A7HPGDMEN1RAB9AKMT2A
SCHEMBL3517681 0.83 PRKCI (0.47) MAPK1ELANEBRD4
SCHEMBL3516974 0.81 PDE4A (0.47) ALDH1A1ELANE
SCHEMBL3515874 0.80 TAF1 (0.47) ELANEATRATRIPBRD4TAF1
SCHEMBL3517754 0.78 PIK3CD (0.52) MEN1KMT2AELANERIPK1
SCHEMBL3515093 0.78 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3523521 0.77 PDE4A (0.41) ALDH1A1MEN1KMT2AELANETAF1
SCHEMBL4460861 0.77 FEN1 (0.47) HPGDALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL2028941 0.75 MTOR (0.47) SLC6A7HPGDALDH1A1MEN1NPC1
SCHEMBL3514797 0.75 AXL (0.39) MEN1NPC1RAB9AKMT2AKDM4E

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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL SLC6A7 2834/4885HPGD 986/4885ALDH1A1 1486/4885

“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.