SCHEMBL3445568

SCHEMBL3445568

CSc1ncc2c(=O)c(C(=O)O)c3sc4ccccc4n3c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ACHE P22303 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
PDE1B Q01064 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE11A Q9HCR9 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL3445304 0.86 MAPT (0.42) KDM4ELMNAHPGDSMN1; SMN2MEN1
SCHEMBL13107723 0.81 KDM4E (0.40) KDM4ELMNAHPGDHSD17B10L3MBTL1
SCHEMBL31649199 0.80 ACHE (0.39) KDM4ENPC1LMNATP53HPGD
SCHEMBL31649031 0.79 ACHE (0.41) KDM4ENPC1LMNATP53HPGD
SCHEMBL3446185 0.78 PTPN11 (0.46) KDM4ELMNAHPGDHSD17B10ACHE
SCHEMBL31649417 0.77 PTPN11 (0.44) LMNAHPGDHSD17B10MEN1KMT2A
SCHEMBL31649272 0.77 KDM4E (0.34) KDM4ENPC1LMNATP53HPGD
SCHEMBL31737273 0.77 RBP4 (0.34) KDM4ENPC1LMNATP53HPGD
SCHEMBL31737569 0.77 RBP4 (0.34) KDM4ENPC1LMNATP53HPGD
SCHEMBL31649144 0.77 ALDH1A1 (0.41) KDM4ELMNATP53HPGDHSD17B10

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-7816406-B2 Quinolone analogs CYLENE PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20060074089-A1 Quinolone analogs SENHWA BIOSCIENCES, INC. (TW) 2006-04-06 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-20060074089-A1 Quinolone analogs NQO2, BAX, MCL1 KDM4E 1268/4885NPC1 2053/4885LMNA 857/4885

“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.