SCHEMBL3854526

SCHEMBL3854526

Cc1c(C)n(Cc2ccccc2)c2ccc(Br)cc12

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.59
KMT2A Q03164 3/20 0.56
LMNA P02545 1/20 0.56
PPARG P37231 3/20 0.52
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
THRB P10828 1/20 0.49
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL6821095 0.85 PLA2G2A (0.60) PLA2G2AKMT2ALMNAPPARGTSHR
SCHEMBL3855495 0.84 PLA2G2A (0.65) PLA2G2AKMT2ALMNATSHRMAPK1
SCHEMBL3855156 0.84 GRIK2 (0.50) PLA2G2AKMT2ALMNAPPARGTSHR
SCHEMBL31222301 0.84 CYP19A1 (0.60) PLA2G2AKMT2ALMNAMAPK1MEN1
SCHEMBL2244878 0.84 CYP19A1 (0.60) PLA2G2AKMT2ALMNAMAPK1MEN1
SCHEMBL10067377 0.82 MAPT (0.57) KMT2APPARGTSHRMEN1TDP1
SCHEMBL11289374 0.80 CYP19A1 (0.66) PLA2G2AKMT2ALMNATSHRMAPK1
SCHEMBL2246814 0.80 CYP19A1 (0.70) PLA2G2AKMT2AMAPK1MEN1ALDH1A1
SCHEMBL27734727 0.78 PPARG (0.74) KMT2APPARGMEN1TDP1THRB
SCHEMBL17969632 0.78 NPC1 (0.51) PLA2G2AKMT2ALMNAMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582773-B2 Substituted phenyl indoles WYETH (US) 2009-09-01 US disclosed
US-20050070592-A1 Substituted phenyl indoles WYETH (US) 2005-03-31 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-20050070592-A1 Substituted phenyl indoles TPH2, IDO2, AANAT PLA2G2A 3821/4885KMT2A 582/4885LMNA 3791/4885

“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.