SCHEMBL3845832

SCHEMBL3845832

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
STAT3 P40763 1/20 0.39
PLA2G2A P14555 1/20 0.39
NR4A2 P43354 1/20 0.38
PPARA Q07869 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL12703877 0.91 PLA2G2A (0.46) LMNASMN1; SMN2HTTPOLBMAPT
SCHEMBL1593367 0.89 NR4A2 (0.39) LMNAMAPTNR4A2MAPK1CASP3
SCHEMBL13851408 0.87 NR4A2 (0.38) LMNAMAPTPLA2G2ANR4A2MAPK1
SCHEMBL3848499 0.87 MMP1 (0.36) LMNASMN1; SMN2MAPTNR4A2PPARA
SCHEMBL1593889 0.86 PLA2G2A (0.40) LMNASMN1; SMN2MAPTPLA2G2AALDH1A1
SCHEMBL3853857 0.86 PIK3CA (0.40) LMNASMN1; SMN2USP2SENP5SENP2
SCHEMBL1593456 0.85 LMNA (0.44) LMNAMAPTPLA2G2ANR4A2USP2
SCHEMBL1593819 0.85 SENP5 (0.38) LMNASMN1; SMN2MAPTNR4A2MAPK1
SCHEMBL13680324 0.85 SMN1; SMN2 (0.40) LMNASMN1; SMN2HTTPOLBMAPT
SCHEMBL13850915 0.84 GLO1 (0.36) LMNASMN1; SMN2MAPTPLA2G2ANR4A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919623-B2 Naphthyridine derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2011-04-05 US disclosed
US-7919623-B2 Naphthyridine derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2011-04-05 US disclosed
US-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2009-09-10 US disclosed
EP-1714966-A1 NAPHTHYLIDINE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY Shionogi Co., Ltd. (JP) 2006-10-25 EP 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 LMNA 1421/4885SMN1; SMN2 3884/4885HTT 2308/4885

“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.