SCHEMBL244380

SCHEMBL244380

Cc1csc(N2CCNC2=O)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.47
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
MAP3K5 Q99683 1/20 0.38
NOS1 P29475 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
DPP4 P27487 1/20 0.36
DNM1L O00429 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 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
SCHEMBL31490429 0.90 L3MBTL1 (0.63) L3MBTL1SMN1; SMN2CYP3A4CYP1A2TSHR
SCHEMBL14445020 0.80 CYP1A2 (0.41) L3MBTL1SMN1; SMN2CYP3A4CYP1A2TSHR
Hydrochloric Acid SCHEMBL1583183 0.78 L3MBTL1 (0.60) L3MBTL1SMN1; SMN2EP300KAT2AKAT2B
SCHEMBL3544311 0.73 L3MBTL1 (1.00) L3MBTL1SMN1; SMN2HSD17B10EP300KAT2A
SCHEMBL15540670 0.73 HSD17B10 (0.49) SMN1; SMN2CYP3A4CYP1A2TSHRHSD17B10
SCHEMBL3527455 0.72 SMN1; SMN2 (0.57) L3MBTL1SMN1; SMN2CYP1A2KDM4EALDH1A1
SCHEMBL2228747 0.70 BAZ2A (0.49) L3MBTL1SMN1; SMN2ADRB1DPP4POLB
SCHEMBL3775820 0.70 HSD17B10 (0.51) L3MBTL1SMN1; SMN2CYP3A4CYP1A2TSHR
SCHEMBL1909601 0.70 NPC1 (0.58) L3MBTL1SMN1; SMN2EP300KAT2AKAT2B
SCHEMBL11879057 0.69 KMT2A (0.49) SMN1; SMN2CYP3A4CYP1A2TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 US disclosed
EP-2054408-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL Novartis Ag (CH) 2009-05-06 EP disclosed
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 WO disclosed
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 WO disclosed
US-6706739-B2 TREATING ENTEROVIRUS INFECTION NATIONAL HEALTH RESEARCH INSTITUTE (TW) 2004-03-16 US disclosed
US-20030087936-A1 Imidazolidinone compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2003-05-08 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 (3 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-20100233116-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 L3MBTL1 4155/4885SMN1; SMN2 3878/4885CYP3A4 399/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 L3MBTL1 4314/4885SMN1; SMN2 3581/4885CYP3A4 119/4885
US-20030087936-A1 Imidazolidinone compounds EIF2AK2, ZC3HAV1, EMG1 L3MBTL1 252/4885SMN1; SMN2 209/4885CYP3A4 3076/4885

“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.