SCHEMBL2600368

SCHEMBL2600368

[C-]#[N+]c1ccc2[nH]c(O)c(-c3ccc(C(=O)OCC)cn3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.44
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 6/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 4/20 0.42
MAPK1 P28482 3/20 0.42
HPGD P15428 3/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 3/20 0.40
PLK4 O00444 1/20 0.39
DAPK3 O43293 1/20 0.39
DYRK3 O43781 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39

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
SCHEMBL2600366 0.84 P4HA1 (0.44) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL2128792 0.82 DYRK3 (0.52) HCRTR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL12911323 0.82 DYRK3 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL4060329 0.81 CCNE1 (0.46) HCRTR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL3192165 0.76 ALK (0.43) HCRTR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL811649 0.71 CA12 (0.56) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL29800427 0.71 CA12 (0.56) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL3445968 0.69 CA1 (0.61) ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL18093518 0.67 ALPL (0.57) MAPTRAB9AKMT2APOLBNPC1
SCHEMBL18104381 0.67 CA12 (0.50) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1

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-20120101132-A1 New Substituted Oxindole Derivative CLAESSON MARTINA (SE) 2012-04-26 US disclosed
US-20090291982-A1 New Substituted Oxindole Derivative 352 ASTRAZENECA AB (SE) 2009-11-26 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 (2 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-20090291982-A1 New Substituted Oxindole Derivative 352 PYGL, GSK3A, GSK3B HCRTR1 1755/4885ALDH1A1 1793/4885KDM4E 3111/4885
US-20120101132-A1 New Substituted Oxindole Derivative PYGL, GSK3A, GSK3B HCRTR1 1476/4885ALDH1A1 1877/4885KDM4E 3035/4885

“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.