SCHEMBL5501573

SCHEMBL5501573

CC(C)(C)NC(=O)c1[c]ccc(N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
JAK2 O60674 1/20 0.35
POLB P06746 2/20 0.35
APEX1 P27695 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 4/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 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
SCHEMBL6170690 0.74 ALDH1A1 (0.36) MEN1KMT2APOLBAPEX1ALDH1A1
SCHEMBL27914228 0.74 MAPT (0.34) MEN1KMT2APOLBAPEX1ALDH1A1
SCHEMBL1115346 0.74 SMN1; SMN2 (0.41) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL11085145 0.74 GAA (0.47) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL17054121 0.73 NR1H2 (0.37) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL7685373 0.73 HDAC8 (0.42) POLBALDH1A1HPGDMAPK1LMNA
SCHEMBL3045441 0.72 KDM4E (0.41) MEN1KMT2APOLBAPEX1ALDH1A1
SCHEMBL14862236 0.72 SMYD3 (0.47) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL14862218 0.72 HDAC2 (0.43) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL9010259 0.70 CES1 (0.35) POLBGLAGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814866-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-08-08 EP claimed
WO-2006058012-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-06-01 WO claimed
US-20060111355-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-05-25 US claimed
EP-1814866-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-08-08 EP disclosed
WO-2006058012-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-06-01 WO disclosed
US-20060111355-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-05-25 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-20060111355-A1 Gonadotropin releasing hormone receptor antagonists GNRHR, LHCGR, GHRHR MEN1 1117/4885KMT2A 2832/4885JAK2 3237/4885

“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.