SCHEMBL6322503

SCHEMBL6322503

O=C(NC1CC1)[C@H]1C[C@@H](O)CN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
SMYD3 Q9H7B4 2/20 0.42
GBA1 P04062 1/20 0.39
DPP4 P27487 4/20 0.38
DPP8 Q6V1X1 4/20 0.38
DPP9 Q86TI2 4/20 0.38
POLB P06746 1/20 0.37
CTSC P53634 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.32
EPHX1 P07099 1/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
MFN2 O95140 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31

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
SCHEMBL10215040 1.00 EPHX2 (0.42) EPHX2SMYD3GBA1DPP4DPP8
SCHEMBL6696877 1.00 EPHX2 (0.42) EPHX2SMYD3GBA1DPP4DPP8
SCHEMBL3332424 0.93 SMYD3 (0.40) EPHX2SMYD3DPP4DPP8DPP9
SCHEMBL15906243 0.92 EPHX1 (0.42) EPHX2SMYD3GBA1DPP4DPP8
SCHEMBL19701381 0.92 SMYD3 (0.44) EPHX2SMYD3GBA1DPP4DPP8
SCHEMBL23575960 0.92 SMYD3 (0.44) EPHX2SMYD3GBA1DPP4DPP8
SCHEMBL15906235 0.92 EPHX1 (0.42) EPHX2SMYD3GBA1DPP4DPP8
SCHEMBL15906226 0.92 EPHX1 (0.42) EPHX2SMYD3GBA1DPP4DPP8
SCHEMBL6508317 0.91 EPHX1 (0.44) EPHX2SMYD3L3MBTL1EPHX1MMP2
SCHEMBL21489851 0.85 SMYD3 (0.44) SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861418-B2 4-aryl substituted indolinones SUGEN, INC. (US) 2005-03-01 US disclosed
US-20040157909-A1 4-Aryl substituted indolinones SUGEN, INC. 2004-08-12 US disclosed
US-6677368-B2 4-aryl substituted indolinones SUGEN, INC. 2004-01-13 US disclosed
US-20030069297-A1 4-aryl substituted indolinones SUGEN, INC. 2003-04-10 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-20030069297-A1 4-aryl substituted indolinones CDK5, CAMK4, TNK2 EPHX2 3992/4885SMYD3 3413/4885GBA1 4163/4885
US-20040157909-A1 4-Aryl substituted indolinones CDK5, CAMK4, TNK2 EPHX2 3992/4885SMYD3 3413/4885GBA1 4163/4885

“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.