SCHEMBL4126225

SCHEMBL4126225

CCC(O)(CC)c1cc(Br)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
GLA P06280 1/20 0.39
AR P10275 2/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 5/20 0.36
POLB P06746 1/20 0.35
PLAU P00749 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
NPC1 O15118 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
PGR P06401 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL10408240 0.79 KDM4E (0.36) KDM4EGLAARESR1ESR2
SCHEMBL78315 0.79 PGR (0.49) KDM4EGLAARSMN1; SMN2MAPT
SCHEMBL30788045 0.79 PGR (0.49) KDM4EGLAARSMN1; SMN2MAPT
SCHEMBL24131432 0.78 PGR (0.45) ARESR1ESR2SMN1; SMN2MAPT
SCHEMBL2079427 0.78 ALDH1A1 (0.42) ARESR1ESR2SMN1; SMN2PGR
SCHEMBL2076407 0.75 ALDH1A1 (0.46) KDM4ESMN1; SMN2MAPTMAPK1MEN1
SCHEMBL381761 0.74 PTGDR2 (0.42) KDM4EGLASMN1; SMN2MAPTPOLB
SCHEMBL3986047 0.73 POLB (0.36) ESR1MAPTPOLBMEN1KMT2A
SCHEMBL19411767 0.73 AAK1 (0.38) KDM4EGLAARSMN1; SMN2MAPT
SCHEMBL2076194 0.72 ALDH1A1 (0.38) SMN1; SMN2MAPTALDH1A1CYP1A2CYP2C9

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-20090197878-A1 SUBSTITUTED BENZO[d][1,3]OXAZIN-2(4H)-ONES AND RELATED DERIVATIVES AND THEIR USES FOR MODULATING THE PROGESTERONE RECEPTOR WYETH (US) 2009-08-06 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-20090197878-A1 SUBSTITUTED BENZO[d][1,3]OXAZIN-2(4H)-ONES AND RELATED DERIVATIVES AND THEIR USES FOR MODULATING THE PROGESTERONE RECEPTOR GNRHR, GPER1, FSHR KDM4E 1295/4885GLA 3415/4885AR 103/4885

“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.