SCHEMBL717272

SCHEMBL717272

Cc1nn(Cc2ccccc2)cc1C=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.66
RAB9A P51151 3/20 0.66
NPC1 O15118 2/20 0.66
LMNA P02545 3/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPT P10636 1/20 0.60
DUSP3 P51452 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
PLK1 P53350 1/20 0.44
PKM P14618 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
SCD O00767 1/20 0.43
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL15554985 0.82 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ANPC1LMNAALDH1A1
SCHEMBL20187309 0.80 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPC1LMNAALDH1A1
SCHEMBL21834056 0.80 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ANPC1LMNAALDH1A1
SCHEMBL6036134 0.79 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ANPC1LMNAALDH1A1
SCHEMBL14660116 0.78 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1LMNAALDH1A1
SCHEMBL259686 0.78 HDAC1 (0.48) SMN1; SMN2RAB9ANPC1LMNAALDH1A1
SCHEMBL16347183 0.77 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1LMNAALDH1A1
SCHEMBL20477335 0.77 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1LMNAALDH1A1
SCHEMBL4351966 0.76 NPC1 (0.46) SMN1; SMN2RAB9ANPC1LMNAALDH1A1
SCHEMBL5376994 0.76 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1LMNAALDH1A1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083583-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF SAGIMET BIOSCIENCES INC (US) 2020-11-18 EP disclosed
EP-3083583-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF SAGIMET BIOSCIENCES INC (US) 2020-11-18 EP disclosed
EP-2870150-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3 V BIOSCIENCES INC (US) 2019-06-19 EP disclosed
EP-2870150-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3 V BIOSCIENCES INC (US) 2019-06-19 EP disclosed
US-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof 3-V BIOSCIENCES, INC. (US) 2019-03-12 US disclosed
US-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof 3-V BIOSCIENCES, INC. (US) 2019-03-12 US disclosed
US-10118913-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2018-11-06 US disclosed
US-10053450-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2018-08-21 US disclosed
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2018-08-09 US disclosed
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2018-08-09 US disclosed
US-20150210688-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2015-07-30 US disclosed
WO-2015095767-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF 3-V BIOSCIENCES, INC. (US) 2015-06-25 WO disclosed
WO-2015095767-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF 3-V BIOSCIENCES, INC. (US) 2015-06-25 WO disclosed
EP-2870150-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V Biosciences, Inc. (US) 2015-05-13 EP disclosed
WO-2014008197-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2014-01-09 WO disclosed
WO-2014008197-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2014-01-09 WO disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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 (7 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP SMN1; SMN2 1051/4885RAB9A 2454/4885NPC1 902/4885
US-10118913-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, FADS2 SMN1; SMN2 3821/4885RAB9A 3234/4885NPC1 241/4885
US-10053450-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, FADS2 SMN1; SMN2 3821/4885RAB9A 3234/4885NPC1 241/4885
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 SMN1; SMN2 3821/4885RAB9A 3234/4885NPC1 241/4885
US-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof FASN, FADS1, COASY SMN1; SMN2 4401/4885RAB9A 3472/4885NPC1 213/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP SMN1; SMN2 1051/4885RAB9A 2454/4885NPC1 902/4885
US-20150210688-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 SMN1; SMN2 3821/4885RAB9A 3234/4885NPC1 241/4885

“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.