SCHEMBL4960666

SCHEMBL4960666

O=C(NCCc1c[nH]cn1)c1cc2[nH]c(-c3cccc(-c4cccnc4O)c3O)nc2cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.40
PLAU P00749 3/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
F10 P00742 3/20 0.38
PLAT P00750 2/20 0.38
F2 P00734 2/20 0.38
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
PRSS3 P35030 1/20 0.36
PRSS12 P56730 1/20 0.36
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EGLN1 Q9GZT9 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
SCHEMBL1509584 0.88 NPC1 (0.39) PLGPLAUNPC1RAB9AMEN1
SCHEMBL12834061 0.85 NPC1 (0.39) PLGPLAUNPC1RAB9AMEN1
SCHEMBL4963255 0.81 PLG (0.41) PLGPLAUNPC1RAB9ASMN1; SMN2
SCHEMBL4962216 0.79 PLG (0.44) PLGPLAUNPC1RAB9ASMN1; SMN2
SCHEMBL4963532 0.77 HDAC6 (0.50) PLGPLAUF10PLATF2
SCHEMBL1509505 0.72 NAMPT (0.36) PLGPLAUNPC1RAB9ASMN1; SMN2
SCHEMBL1509477 0.70 F10 (0.38) PLGPLAUNPC1RAB9ASMN1; SMN2
SCHEMBL12834107 0.68 HDAC6 (0.42) F10F2PRSS1PRSS2F7
SCHEMBL1509535 0.67 NAMPT (0.45) PLGPLAUF10PLATF2
SCHEMBL12834016 0.67 NAMPT (0.47) PLGPLAUMEN1KMT2AF10

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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US claimed

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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 PLG 4217/4885PLAU 3843/4885NPC1 2983/4885

“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.