SCHEMBL3515736

SCHEMBL3515736

O=c1cc(NCc2ccc(CN3CCOCC3)cc2)c2cccnc2n1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.47
HDAC1 Q13547 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 2/20 0.42
METAP2 P50579 1/20 0.42
PAX8 Q06710 1/20 0.42
SYK P43405 1/20 0.42
POLB P06746 1/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
APP P05067 1/20 0.39
BCHE P06276 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
SCHEMBL3516034 0.92 AURKA (0.43) ACP1HDAC1ALDH1A1RAB9AL3MBTL1
SCHEMBL3516223 0.81 BACE1 (0.49) HDAC1L3MBTL1NPC1KDM4EMAPT
SCHEMBL3519288 0.81 HDAC3 (0.44) HDAC1L3MBTL1SMN1; SMN2KDM4EMAPT
SCHEMBL3517421 0.81 ADRA2C (0.43) HDAC1L3MBTL1POLBSMN1; SMN2
SCHEMBL3516561 0.80 AURKA (0.41) ALDH1A1RAB9AL3MBTL1METAP2SMN1; SMN2
SCHEMBL3517673 0.79 PARP1 (0.42) POLBKDM4EACHEPARP1
SCHEMBL3519313 0.78 NCF1 (0.47) ACP1HDAC1NPC1SMN1; SMN2KDM4E
SCHEMBL3517441 0.78 PIK3CA (0.49) KDM4E
SCHEMBL3538616 0.76 KMT2A (0.46) HDAC1ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL3518012 0.75 SCN1A (0.44) POLB

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 ACP1 3101/4885HDAC1 505/4885ALDH1A1 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.