SCHEMBL9103481

SCHEMBL9103481

COc1ccc2c(c1)CC(=O)N2C(CC(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
MCL1 Q07820 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 2/20 0.38
ESR1 P03372 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.38
MAOB P27338 1/20 0.38
METAP1 P53582 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL9103530 0.86 MCL1 (0.38) MCL1MAPTSMN1; SMN2
SCHEMBL9108017 0.84 PDE5A (0.49) NOTUMMCL1SMN1; SMN2ALDH1A1CYP2C19
SCHEMBL9106358 0.82 MCL1 (0.47) MCL1SMN1; SMN2
SCHEMBL9108805 0.82 P2RX3 (0.43) NOTUMMCL1MAPTSMN1; SMN2
SCHEMBL9103314 0.81 NPC1 (0.40) NOTUMKMT2AHSD17B10ATM
SCHEMBL9109066 0.81 NOTUM (0.47) NOTUMMCL1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9103283 0.80 F2 (0.42) MAPTKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9101981 0.80 KDM4E (0.43) MAPTKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9908093 0.80 KDM4E (0.43) MAPTKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9106645 0.79 GCK (0.56) TP53KMT2ASMN1; SMN2ALDH1A1MEN1

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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 2012-06-07 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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS GPR119, INSR, OAT NOTUM 65/4885MCL1 3695/4885TP53 2411/4885

“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.