SCHEMBL3515995

SCHEMBL3515995

O=c1c2ccccc2c2cccnc2n1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.42
KAT2B Q92831 1/20 0.42
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
PDE4A P27815 1/20 0.40
ELANE P08246 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3517587 0.88 PDE4A (0.39) ALDH1A1TSHRALOX15KAT2BKDM4E
SCHEMBL3514741 0.80 PTGDR2 (0.49) KDM4EMEN1KMT2AL3MBTL1CNR1
SCHEMBL4324294 0.80 ALDH1A1 (0.40) ALDH1A1TSHRALOX15KDM4EMEN1
SCHEMBL3515392 0.80 KDM4E (0.39) ALDH1A1TSHRALOX15KAT2BKDM4E
SCHEMBL2027130 0.80 LDHA (0.45) ALDH1A1TSHRELANESMN1; SMN2
SCHEMBL3514876 0.79 CNR2 (0.44) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL3514631 0.79 ALDH1A1 (0.41) ALDH1A1TSHRALOX15KAT2BKDM4E
SCHEMBL3515379 0.79 KDM4E (0.45) ALDH1A1TSHRALOX15KDM4EMEN1
SCHEMBL16238692 0.78 CNR2 (0.46) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL3516729 0.78 HIF1A (0.50) ALDH1A1ALOX15KDM4EMEN1KMT2A

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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
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 ALDH1A1 1486/4885TSHR 3624/4885ALOX15 3196/4885

“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.