SCHEMBL3519489

SCHEMBL3519489

CC(=O)N1CCN(Cc2cccc(-c3cc(=O)n(O)c4ncccc34)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.46
CHRM3 P20309 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
DRD2 P14416 4/20 0.41
DRD4 P21917 4/20 0.41
DRD3 P35462 4/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
FAAH O00519 2/20 0.40
MGLL Q99685 1/20 0.40
LTA4H P09960 1/20 0.40
ICAM1 P05362 1/20 0.39
CHEK1 O14757 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 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
SCHEMBL3515937 0.89 DRD2 (0.47) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL3515093 0.86 ALDH1A1 (0.47) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL3519661 0.83 HDAC1 (0.44) KDRDRD2DRD4DRD3MEN1
SCHEMBL3515077 0.79 PRKCI (0.41) CHEK1
SCHEMBL3519733 0.78 PRMT5 (0.40) CHEK1
SCHEMBL3514716 0.76 PRMT5 (0.39) CHEK1
SCHEMBL3516378 0.74 PLA2G10 (0.43)
SCHEMBL3516974 0.74 PDE4A (0.47) KDRCHEK1
SCHEMBL3516380 0.74 PTPN1 (0.39)
SCHEMBL3514697 0.74 DRD2 (0.44) DRD2DRD4DRD3FAAHMGLL

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 KDR 3631/4885CHRM3 4218/4885HRH3 65/4885

“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.