SCHEMBL3853087

SCHEMBL3853087

Brc1ccc2c(c1)c(Cc1ccccc1)c(-c1ccccc1)n2Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.49
NPC1 O15118 1/20 0.45
CFTR P13569 2/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP19A1 P11511 1/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1A1 P14550 1/20 0.41
AKR1B1 P15121 1/20 0.41
MAPK8 P45983 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40

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
SCHEMBL3852451 0.83 PLA2G2A (0.49) PLA2G2ANPC1CFTRKMT2AMEN1
SCHEMBL9584036 0.83 CYP19A1 (0.58) PLA2G2AKMT2AMEN1CYP19A1LMNA
SCHEMBL3856618 0.82 PPARG (0.51) PLA2G2ANPC1TUBB4ATUBBTUBA3C
SCHEMBL3855156 0.82 GRIK2 (0.50) PLA2G2ANPC1CFTRKMT2AMEN1
SCHEMBL6920117 0.82 CA12 (0.48) PLA2G2ANPC1CFTRKMT2AMEN1
SCHEMBL3855495 0.82 PLA2G2A (0.65) PLA2G2AKMT2ALMNAALDH1A1
SCHEMBL3853407 0.81 PLA2G2A (0.49) PLA2G2AKMT2AALDH1A1GAAPGR
SCHEMBL2244878 0.79 CYP19A1 (0.60) PLA2G2ANPC1KMT2AMEN1CYP19A1
SCHEMBL31222301 0.79 CYP19A1 (0.60) PLA2G2ANPC1KMT2AMEN1CYP19A1
SCHEMBL3853483 0.78 PLA2G2A (0.49) PLA2G2AKMT2AALDH1A1

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 3821/4885NPC1 1425/4885CFTR 4696/4885

“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.