SCHEMBL486640

SCHEMBL486640

CC1(C)CC(=O)C=C(NCc2cccnc2)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
APEX1 P27695 1/20 0.71
CYP2D6 P10635 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
USP2 O75604 2/20 0.55
POLB P06746 2/20 0.55
KDM4E B2RXH2 2/20 0.55
GLA P06280 1/20 0.55
LMNA P02545 1/20 0.50
ALDH1A1 P00352 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.46
LTA4H P09960 1/20 0.46
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL486151 0.83 GAA (1.00) GAAMEN1KMT2AAPEX1CYP2D6
SCHEMBL486184 0.83 MEN1 (1.00) GAAMEN1KMT2AAPEX1CYP2D6
SCHEMBL12349855 0.81 GAA (0.50) GAAMEN1KMT2AAPEX1CYP2D6
SCHEMBL12349891 0.81 GAA (0.47) GAAMEN1KMT2AAPEX1CYP2D6
SCHEMBL12349990 0.78 GAA (0.45) GAAMEN1KMT2AAPEX1CYP2D6
SCHEMBL17372555 0.77 GAA (0.64) GAAMEN1KMT2AAPEX1CYP2D6
SCHEMBL486343 0.75 MEN1 (0.64) GAAMEN1KMT2AAPEX1CYP2D6
SCHEMBL2468524 0.72 KMT2A (0.45) GAAMEN1KMT2AAPEX1USP2
SCHEMBL12869168 0.71 LMNA (0.83) GAAMEN1KMT2AAPEX1CYP2D6
SCHEMBL486694 0.70 LMNA (0.74) GAAMEN1KMT2AAPEX1CYP2D6

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
EP-2145884-B1 INDOLEDIONE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8106086-B2 Indoledione derivative MSD K.K. (JP) 2012-01-31 US disclosed
US-20100056597-A1 INDOLEDIONE DERIVATIVE MSD K.K. (JP) 2010-03-04 US disclosed
EP-2145884-A1 INDOLEDIONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-01-20 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-20100056597-A1 INDOLEDIONE DERIVATIVE LIPE, IDO1, ADRA1A GAA 3701/4885MEN1 2086/4885KMT2A 776/4885

“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.