SCHEMBL5455791

SCHEMBL5455791

COc1ccc([C@H](C)N2C(=O)C3=C(CCCC3)[C@H]2SCC(=O)Nc2ccccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
POLB P06746 1/20 0.41
F2 P00734 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
RAB9A P51151 5/20 0.39
NPC1 O15118 3/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 2/20 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
SCHEMBL5459727 1.00 HPGD (0.44) HPGDSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL2666711 0.85 ALDH1A1 (0.45) HPGDSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL2666573 0.84 ALDH1A1 (0.45) HPGDSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL5464653 0.81 ALDH1A1 (0.43) HPGDSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL5464658 0.81 ALDH1A1 (0.43) HPGDSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL14533708 0.79 KMT2A (0.44) HPGDSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL2666539 0.76 MEN1 (0.43) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL2644277 0.74 ALDH1A1 (0.48) HPGDSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL2666713 0.74 NPC1 (0.46) HPGDSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL2666863 0.74 HTT (0.41) ALDH1A1KDM4EGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US disclosed
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US disclosed
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 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-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase GCKR, GCK, GALK1 HPGD 1811/4885SMN1; SMN2 4653/4885ALDH1A1 2410/4885

“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.