SCHEMBL3853857

SCHEMBL3853857

CC(=O)Nc1nc(C(=O)O)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.40
BRD4 O60885 3/20 0.39
SENP5 Q96HI0 2/20 0.38
SENP2 Q9HC62 2/20 0.38
SENP1 Q9P0U3 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SCD O00767 1/20 0.37
USP2 O75604 1/20 0.37
PPIA P62937 1/20 0.37
CXCR2 P25025 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1593819 0.92 SENP5 (0.38) PIK3CASENP5SENP2SENP1LMNA
SCHEMBL3853855 0.90 ALDH1A1 (0.40) SENP5SENP2SENP1LMNAMEN1
SCHEMBL1593421 0.88 BRD4 (0.37) PIK3CABRD4SENP5SENP2SENP1
SCHEMBL13850915 0.88 GLO1 (0.36) SENP5SENP2SENP1LMNAMEN1
SCHEMBL3845832 0.86 LMNA (0.39) SENP5SENP2SENP1LMNAKMT2A
SCHEMBL1593812 0.85 LMNA (0.41) SENP5SENP2SENP1LMNASCD
SCHEMBL1593367 0.85 NR4A2 (0.39) SENP5SENP2SENP1LMNAMEN1
SCHEMBL3894109 0.84 PIK3CA (0.38) PIK3CA
SCHEMBL12703458 0.84 MAPT (0.40) LMNASCDSMN1; SMN2NPC1RAB9A
SCHEMBL1593456 0.83 LMNA (0.44) LMNAUSP2

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 2 patents. 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
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 PIK3CA 815/4885BRD4 908/4885SENP5 3988/4885

“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.