SCHEMBL940968

SCHEMBL940968

c1ccc2c(-c3ccc4[nH]ccc4c3)c[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 4/20 0.58
TDO2 P48775 8/20 0.57
NPC1 O15118 1/20 0.57
NR4A2 P43354 1/20 0.54
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
ALOX5 P09917 1/20 0.51
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
IMPDH2 P12268 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DYRK1A Q13627 1/20 0.50
DYRK2 Q92630 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
CYP2C9 P11712 1/20 0.49
LRRK2 Q5S007 1/20 0.49
ASH1L Q9NR48 1/20 0.49
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48

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
SCHEMBL2526465 0.86 NPC1 (0.71) MAP3K11NPC1CYP3A4CYP2D6IMPDH2
SCHEMBL7088454 0.83 PIK3CD (0.62) MAP3K11NPC1ASH1LCASP3SENP7
SCHEMBL29713619 0.81 TDO2 (0.70) TDO2NR4A2PDGFRBPDGFRAALOX5
SCHEMBL7089602 0.79 NPC1 (0.59) MAP3K11NPC1CYP3A4CYP2D6CASP3
SCHEMBL28377762 0.78 NR4A2 (0.81) TDO2NR4A2PDGFRBPDGFRAALOX5
SCHEMBL16918805 0.78 NPC1 (0.62) MAP3K11NPC1NR4A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL27534537 0.77 NPC1 (0.57) MAP3K11NPC1CYP3A4CYP2D6CASP3
SCHEMBL3872843 0.77 TDO2 (0.53) TDO2NR4A2PDGFRBPDGFRAALOX5
SCHEMBL17097194 0.77 TDO2 (0.60) TDO2PDGFRBPDGFRADYRK1ADYRK2
SCHEMBL28416622 0.77 NR4A2 (0.78) TDO2NR4A2PDGFRBPDGFRAALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109963561-A Indole derivatives useful as inhibitors of diacylglyceride O-acyltransferase 2 默沙东公司 2019-07-02 CN claimed
US-9822092-B2 ArylSulfonamide-based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2017-11-21 US disclosed
US-8975439-B2 Arylsulfonamide based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2015-03-10 US disclosed
US-20150045398-A1 ArylSulfonamide-Based Matrix Metalloprotease Inhibitors NOVARTIS AG (CH) 2015-02-12 US disclosed
US-20130096105-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors NOVARTIS AG (CH) 2013-04-18 US disclosed
US-8362063-B2 Arylsulfonamide based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2013-01-29 US disclosed
US-20120258954-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors NOVARTIS AG (CH) 2012-10-11 US disclosed
US-8222424-B2 Arylsulfonamide-based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2012-07-17 US disclosed
US-20110014186-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2011-01-20 US disclosed
CN-1247589-C Tricyclic derivatives of indole with antiangiogenic activity SIGMA TAU IND FARMACEUTI (IT) 2006-03-29 CN disclosed
CN-1471535-A Tricyclic derivatives of indole with antiangiogenic activity ϣ��������ҩ��ҵ��˾ 2004-01-28 CN 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 (4 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-20110014186-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS MMP11, MMP10, MMP9 MAP3K11 729/4885TDO2 360/4885NPC1 1157/4885
US-20150045398-A1 ArylSulfonamide-Based Matrix Metalloprotease Inhibitors MMP11, MMP10, MMP9 MAP3K11 729/4885TDO2 360/4885NPC1 1157/4885
US-20120258954-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors MMP11, MMP9, MMP10 MAP3K11 657/4885TDO2 351/4885NPC1 1236/4885
US-20130096105-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors MMP11, MMP9, MMP10 MAP3K11 657/4885TDO2 351/4885NPC1 1236/4885

“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.