SCHEMBL3854587

SCHEMBL3854587

Cn1c(-c2ccccc2)c(Cc2ccccc2)c2cc(-c3ccc(OCC#N)cc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.48
AS3MT Q9HBK9 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HK1 P19367 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TACR1 P25103 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3853485 0.88 MEN1 (0.43) PPARGAS3MTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3853909 0.86 SIRT2 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3857040 0.85 PPARG (0.46) PPARGALDH1A1HK1SMN1; SMN2HKDC1
SCHEMBL3855325 0.84 GRIK2 (0.44) PPARGAS3MTALDH1A1HK1SMN1; SMN2
SCHEMBL3854788 0.84 PPARG (0.51) PPARGALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL3854723 0.83 PPARG (0.70) PPARGSMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL3854542 0.81 PPARG (0.58) PPARGALDH1A1SMN1; SMN2L3MBTL1PSEN1
SCHEMBL3853281 0.80 PLA2G2A (0.50)
SCHEMBL3852354 0.79 PPARG (0.51) PPARGALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL3854513 0.79 PPARG (0.43) PPARGAS3MTSMN1; SMN2TACR1MEN1

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 PPARG 1741/4885AS3MT 657/4885ALDH1A1 423/4885

“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.