SCHEMBL13276124

SCHEMBL13276124

COC(CNC(c1cccnc1)S(C)(=O)=O)CN1[C@@H]2C[CH]C[C@H]1CC2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
KCNA5 P22460 4/20 0.34
KDM4E B2RXH2 2/20 0.34
ADRB3 P13945 6/20 0.34
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL13276241 0.86 ADRB3 (0.36) ALDH1A1ADRB3CYP3A4CYP3A5TSHR
SCHEMBL3029558 0.79 KCNA5 (0.33) ALDH1A1MEN1KMT2AMAPK1KCNA5
SCHEMBL13276042 0.76 CYP1A2 (0.43) ALDH1A1MAPK1KDM4E
SCHEMBL2101549 0.74 HTR4 (0.60)
SCHEMBL3962428 0.74 HTR4 (0.48)
SCHEMBL13276125 0.73 PDE4A (0.39) ALDH1A1KDM4E
SCHEMBL3029553 0.69 ADRB3 (0.32) ALDH1A1KMT2AKCNA5ADRB3
SCHEMBL13276306 0.64 HTR4 (0.32) ALDH1A1
SCHEMBL13276242 0.63 CRY1 (0.46) ALDH1A1KDM4ETSHR
SCHEMBL13276282 0.61 CYP1A2 (0.46) ALDH1A1KDM4E

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-20120264779-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2012-10-18 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-20120264779-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A ALDH1A1 2540/4885MEN1 1587/4885KMT2A 1511/4885

“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.