SCHEMBL4307478

SCHEMBL4307478

O=C(NCc1ccccc1)Nc1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 1.00
RAB9A P51151 8/20 0.77
NPC1 O15118 6/20 0.77
SMN1; SMN2 Q16637 5/20 0.77
ALDH1A1 P00352 2/20 0.77
KDM4E B2RXH2 1/20 0.72
TP53 P04637 2/20 0.67
KMT2A Q03164 7/20 0.67
MEN1 O00255 6/20 0.67
MAPT P10636 2/20 0.67
TSHR P16473 2/20 0.67
NAMPT P43490 1/20 0.66
POLB P06746 1/20 0.66
ATM Q13315 1/20 0.63

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
SCHEMBL108168 0.89 KMT2A (0.81) GSK3BRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12010919 0.83 RAB9A (0.84) GSK3BRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL22103783 0.81 GSK3B (0.68) GSK3BRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL107421 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL13126014 0.80 RAB9A (0.73) GSK3BRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL20379676 0.80 NAMPT (1.00) GSK3BRAB9AALDH1A1NAMPT
SCHEMBL1463242 0.80 KMT2A (0.78) GSK3BRAB9ANPC1ALDH1A1KDM4E
SCHEMBL1464690 0.79 KMT2A (0.77) GSK3BRAB9ANPC1ALDH1A1KDM4E
SCHEMBL108370 0.78 RAB9A (0.81) GSK3BRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5327057 0.78 MAPT (0.72) GSK3BRAB9ANPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919465-B1 GSK-3 INHIBITORS ASD THERAPEUTICS PARTNERS LLC (US) 2017-12-27 EP disclosed
EP-1919465-B1 GSK-3 INHIBITORS ASD THERAPEUTICS PARTNERS LLC (US) 2017-12-27 EP disclosed
US-20090124686-A1 GSK-3 INHIBITORS NEUROPHARMA, S.A. (ES) 2009-05-14 US disclosed
US-20090124686-A1 GSK-3 INHIBITORS NEUROPHARMA, S.A. (ES) 2009-05-14 US disclosed
US-20090124686-A1 GSK-3 INHIBITORS NEUROPHARMA, S.A. (ES) 2009-05-14 US disclosed
WO-2007017145-A2 GSK-3 INHIBITORS NEUROPHARMA, S.A. (ES) 2007-02-15 WO disclosed
EP-1749523-A1 GSK-3 inhibitors Neuropharma, S.A. (ES) 2007-02-07 EP disclosed
EP-1749523-A1 GSK-3 inhibitors Neuropharma, S.A. (ES) 2007-02-07 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-20090124686-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP GSK3B 1/4885RAB9A 4073/4885NPC1 1021/4885

“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.