SCHEMBL3853002

SCHEMBL3853002

Cc1c(Cc2ccccc2)c2cc(-c3ccc(OCc4nnn[nH]4)cc3)ccc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLA2G2A P14555 1/20 0.38
PTGES O14684 2/20 0.38
MAP4K1 Q92918 1/20 0.37
GSK3B P49841 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLA2G4A P47712 1/20 0.35
IKBKE Q14164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AS3MT Q9HBK9 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL3854513 0.90 PPARG (0.43) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3850876 0.89 PLA2G2A (0.51) PLA2G2A
SCHEMBL3851703 0.82 PLA2G2A (0.39) POLBPKMSMN1; SMN2PLA2G2AALDH1A1
SCHEMBL3851996 0.82 GRIK2 (0.39) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3854572 0.80 PPARG (0.42) SMN1; SMN2PTGESGSK3BKDM4EALDH1A1
SCHEMBL3854484 0.80 PLK4 (0.43) MEN1KMT2APLA2G2APTGESGSK3B
SCHEMBL3853485 0.79 MEN1 (0.43) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3854969 0.78 KDM4E (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3857096 0.77 PPARG (0.57) NPC1RAB9AMEN1KMT2APLA2G2A
SCHEMBL3857091 0.77 ESR1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582773-B2 Substituted phenyl indoles WYETH (US) 2009-09-01 US claimed
US-20050070592-A1 Substituted phenyl indoles WYETH (US) 2005-03-31 US claimed
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 NPC1 1425/4885RAB9A 3129/4885MEN1 2493/4885

“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.