SCHEMBL9109066

SCHEMBL9109066

CC(C)CC(C(=O)O)N1C(=O)Cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
BCL2 P10415 4/20 0.45
BCL2L2 Q92843 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MCL1 Q07820 3/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
ACE P12821 1/20 0.40
MME P08473 1/20 0.39
THRB P10828 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
SCHEMBL21459349 0.88 ALDH1A1 (0.50) BCL2BCL2L2SMN1; SMN2MEN1KMT2A
SCHEMBL31303303 0.88 ALDH1A1 (0.50) BCL2BCL2L2SMN1; SMN2MEN1KMT2A
SCHEMBL21953166 0.84 NOTUM (0.43) NOTUMSMN1; SMN2MEN1KMT2ATAAR1
SCHEMBL9108017 0.84 PDE5A (0.49) NOTUMBCL2BCL2L2SMN1; SMN2MCL1
SCHEMBL9108805 0.83 P2RX3 (0.43) NOTUMBCL2BCL2L2SMN1; SMN2MCL1
SCHEMBL9105991 0.83 SMN1; SMN2 (0.42) NOTUMBCL2BCL2L2SMN1; SMN2MCL1
SCHEMBL9106358 0.83 MCL1 (0.47) BCL2BCL2L2SMN1; SMN2MCL1MME
SCHEMBL4553514 0.81 NOTUM (0.53) NOTUMHPGDMEN1KMT2A
SCHEMBL9103481 0.81 NOTUM (0.40) NOTUMSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL9103302 0.79 SMN1; SMN2 (0.41) NOTUMBCL2BCL2L2SMN1; SMN2HPGD

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 65/4885BCL2 740/4885BCL2L2 535/4885

“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.