SCHEMBL13680324

SCHEMBL13680324

Cc1nc(C=O)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
USP2 O75604 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PLA2G2A P14555 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL3845832 0.85 LMNA (0.39) SMN1; SMN2LMNAMAPTPOLBSTAT3
SCHEMBL12703877 0.82 PLA2G2A (0.46) SMN1; SMN2LMNAMAPTPOLBSTAT3
SCHEMBL12725710 0.81 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMAPTPOLBSTAT3
SCHEMBL13850771 0.80 LMNA (0.42) SMN1; SMN2LMNAMAPTPOLBSTAT3
SCHEMBL13850774 0.80 PTGER1 (0.41) SMN1; SMN2LMNAMAPTHTTMAOB
SCHEMBL13850828 0.79 MAOB (0.42) SMN1; SMN2LMNAMAPTCYP2C9MAOB
SCHEMBL1593889 0.78 PLA2G2A (0.40) SMN1; SMN2LMNAMAPTALDH1A1KMT2A
SCHEMBL13851369 0.78 SMN1; SMN2 (0.39) SMN1; SMN2LMNAMAPTPOLBSTAT3
SCHEMBL12725709 0.77 PLA2G2A (0.38) SMN1; SMN2LMNAMAPTPOLBSTAT3
SCHEMBL13850893 0.76 LMNA (0.46) LMNAMAPTTSHRALDH1A1USP2

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-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2009-09-10 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-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase PNP, CDKL1, ASNS SMN1; SMN2 3884/4885LMNA 1421/4885MAPT 4098/4885

“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.