SCHEMBL6429121

SCHEMBL6429121

COc1ccc2c(c1)c(CC(N)=O)c(C)n2OCc1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.65
PLA2G2A P14555 10/20 0.59
MEN1 O00255 2/20 0.59
LMNA P02545 2/20 0.59
CYP1A2 P05177 2/20 0.59
MAPT P10636 2/20 0.59
CYP2C9 P11712 2/20 0.59
PMP22 Q01453 2/20 0.59
KMT2A Q03164 2/20 0.59
HIF1A Q16665 2/20 0.59
RGS12 O14924 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.59
PKM P14618 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
MAPK1 P28482 1/20 0.59
CYP2C19 P33261 1/20 0.59
GNAI1 P63096 1/20 0.59
AKR1C3 P42330 2/20 0.53

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
SCHEMBL6429124 0.87 PTGS2 (0.77) PTGS2PLA2G2AMEN1LMNACYP1A2
SCHEMBL2238173 0.79 PTGS2 (1.00) PTGS2PLA2G2AMEN1LMNACYP1A2
SCHEMBL19292039 0.76 PLA2G2A (0.65) PTGS2PLA2G2A
SCHEMBL10591324 0.76 PLA2G2A (0.65) PTGS2PLA2G2A
SCHEMBL8647358 0.75 LMNA (0.77) PTGS2PLA2G2AMEN1LMNACYP1A2
SCHEMBL7965081 0.75 PLA2G2A (0.86) PLA2G2A
SCHEMBL8610794 0.74 PTGS2 (0.82) PTGS2PLA2G2AMEN1LMNACYP1A2
SCHEMBL7965330 0.74 PLA2G2A (1.00) PLA2G2AMEN1LMNACYP1A2MAPT
SCHEMBL7953243 0.74 PLA2G2A (1.00) PLA2G2A
SCHEMBL1322507 0.74 LMNA (1.00) PTGS2PLA2G2AMEN1LMNACYP1A2

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-20050002859-A1 COX-2-targeted imaging agents VANDERBILT UNIVERSITY (US) 2005-01-06 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-20050002859-A1 COX-2-targeted imaging agents PTGS2, PTGES2, PTGER2 PTGS2 1/4885PLA2G2A 50/4885MEN1 2389/4885

“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.