SCHEMBL3230440

SCHEMBL3230440

O=C(Nc1nccs1)c1ccc(N2CCC3(C=Cc4ccccc43)CC2)nn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 2/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SCD O00767 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
AOC3 Q16853 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL3230446 1.00 NPC1 (0.44) NPC1RAB9ALMNAMETAP2METAP1
SCHEMBL3230333 0.84 HSD11B1 (0.43) NPC1RAB9ASMN1; SMN2SCDKDM4E
SCHEMBL3230328 0.84 HSD11B1 (0.43) NPC1RAB9ASMN1; SMN2SCDKDM4E
SCHEMBL3225971 0.84 SCD (0.49) SCDAOC3HSD11B1
SCHEMBL3225964 0.84 SCD (0.49) SCDAOC3HSD11B1
SCHEMBL3231161 0.84 NPC1 (0.44) NPC1RAB9ASMN1; SMN2SCDHSD11B1
SCHEMBL3231167 0.84 NPC1 (0.44) NPC1RAB9ASMN1; SMN2SCDHSD11B1
SCHEMBL3231947 0.83 SCD (0.43) SCDAOC3HSD11B1
SCHEMBL3231954 0.83 SCD (0.43) SCDAOC3HSD11B1
SCHEMBL3223344 0.83 SCD (0.41) SCDAOC3HSD11B1

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-8575167-B2 Spiro compounds having stearoyl-CoA desaturase action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 NPC1 217/4885RAB9A 2792/4885LMNA 400/4885

“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.