SCHEMBL3517673

SCHEMBL3517673

CC1CCN(Cc2cccc(CNc3cc(=O)n(O)c4ncccc34)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ACHE P22303 2/20 0.39
SLC2A1 P11166 1/20 0.38
HTT P42858 1/20 0.37
HTR7 P34969 1/20 0.37
OGA O60502 1/20 0.37
TERT O14746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MCHR1 Q99705 1/20 0.35
ACKR3 P25106 1/20 0.35
P2RX7 Q99572 1/20 0.35
LTA4H P09960 1/20 0.35

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
SCHEMBL3516561 0.89 AURKA (0.41) PARP1KDM4E
SCHEMBL3516034 0.87 AURKA (0.43) PARP1HTTKDM4EPOLB
SCHEMBL3515736 0.79 ACP1 (0.47) PARP1ACHEKDM4EPOLB
SCHEMBL3516223 0.78 BACE1 (0.49) HSD17B10HTTKDM4EHDAC6
SCHEMBL3517491 0.78 KDM4E (0.51) HTTKDM4EMCHR1
SCHEMBL3520095 0.77 GRM2 (0.51) POLB
SCHEMBL3519288 0.76 HDAC3 (0.44) KDM4EHDAC6
SCHEMBL3538616 0.76 KMT2A (0.46) HTTKDM4EHDAC6
SCHEMBL3517421 0.75 ADRA2C (0.43) HTTPOLBHDAC6
SCHEMBL3517392 0.74 ROCK2 (0.52) KDM4E

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 PARP1 175/4885HSD17B10 1361/4885ACHE 1251/4885

“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.