SCHEMBL3519484

SCHEMBL3519484

O=C(NCC(F)(F)F)c1c(O)c2cccnc2n(O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.46
CNR1 P21554 6/20 0.45
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.41
USP2 O75604 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 3/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3517727 0.82 MEN1 (0.57) CNR2CNR1MEN1KMT2AALDH1A1
SCHEMBL3514915 0.82 KMT2A (0.58) CNR2CNR1MEN1KMT2ASMN1; SMN2
SCHEMBL3517675 0.80 CNR2 (0.47) CNR2CNR1HTR3EHTR3BHTR3A
SCHEMBL16236331 0.79 CNR2 (0.47) CNR2CNR1MEN1KMT2AALDH1A1
SCHEMBL16236659 0.78 CNR2 (0.45) CNR2CNR1MEN1KMT2AALDH1A1
SCHEMBL3518472 0.77 CNR2 (0.63) CNR2CNR1HTR3EHTR3BHTR3A
SCHEMBL3517646 0.77 EGFR (0.57) CNR2CNR1MEN1KMT2AALDH1A1
SCHEMBL16236986 0.77 CNR2 (0.47) CNR2CNR1MEN1KMT2AALDH1A1
SCHEMBL16250051 0.76 FEN1 (0.49) CNR2CNR1HTR3EHTR3BHTR3A
SCHEMBL3518030 0.76 FEN1 (0.49) CNR2CNR1HTR3EHTR3BHTR3A

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 CNR2 4813/4885CNR1 4017/4885HTR3E 3375/4885

“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.