SCHEMBL19153136

SCHEMBL19153136

Cc1nc2[nH]c(=O)ccc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
RAB9A P51151 5/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
MAPT P10636 2/20 0.38
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
SHMT2 P34897 2/20 0.37
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
CHEK1 O14757 1/20 0.35
MET P08581 1/20 0.35
GSK3B P49841 1/20 0.35
LIMK1 P53667 1/20 0.35

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
SCHEMBL18237572 0.77 PDE3B (0.33) MAPTPDE3BPDE3ASHMT2CHEK1
SCHEMBL24835415 0.77 NPC1 (0.43) NPC1RAB9ASMN1; SMN2PDE3BPDE3A
SCHEMBL2607092 0.74 SMN1; SMN2 (0.45) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL30525518 0.73 MEN1 (0.33) KMT2AMEN1MAPTHSD17B10ALDH1A1
SCHEMBL29608400 0.73 PDE3B (0.35) KMT2AMEN1SMN1; SMN2MAPTPDE3B
SCHEMBL30525515 0.71 PDE3B (0.38) MAPTPDE3BPDE3ASHMT2CHEK1
SCHEMBL19153835 0.71 PDE3B (0.47) KMT2APDE3BPDE3A
SCHEMBL5035864 0.69
SCHEMBL4406424 0.69 HCAR1 (0.38) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL23146366 0.66 DAO (0.53) NPC1RAB9AKMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT NPC1 577/4885RAB9A 1610/4885KMT2A 1005/4885

“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.