SCHEMBL10116499

SCHEMBL10116499

CC(=O)[C@@H]1Cc2ccccc2CN1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.48
TDP1 Q9NUW8 2/20 0.45
POLB P06746 2/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ACE P12821 3/20 0.43
PREP P48147 1/20 0.43
CHEK1 O14757 1/20 0.43
JAK2 O60674 1/20 0.43
LMNA P02545 2/20 0.42
GLA P06280 1/20 0.42
PKM P14618 1/20 0.42
HSD17B3 P37058 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MMP9 P14780 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40

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
SCHEMBL8278531 1.00 NOTUM (0.48) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL3154327 0.86 ACE (0.54) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL13971489 0.86 ACE (0.54) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL2092090 0.86 ACE (0.54) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL32676972 0.86 ACE (0.54) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL32676817 0.84 HTR1A (0.43) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL32676643 0.84 HTR1A (0.43) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL13619651 0.84 HTR1A (0.43) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL32676967 0.84 HTR1A (0.43) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL21515929 0.83 NOTUM (0.47) NOTUMPOLBHSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11072634-B2 Inhibitors of transglutaminases ZEDIRA GMBH (DE) 2021-07-27 US disclosed
US-20210147478-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII ZEDIRA GMBH (DE) 2021-05-20 US disclosed
US-20190322700-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2019-10-24 US disclosed
US-8653054-B2 2-(N-substituted piperazinyl) steroid derivatives UNIVERSITE LAVAL (CA) 2014-02-18 US disclosed
US-8653054-B2 2-(N-substituted piperazinyl) steroid derivatives UNIVERSITE LAVAL (CA) 2014-02-18 US disclosed
US-20120252734-A1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES OLSON GARY LEE (US) 2012-10-04 US disclosed
US-8222215-B2 Methods for the use of inhibitors of antigen presentation by MHC class II molecules PROVID PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20120115842-A1 Substituted Oxindole Derivatives, Medicaments Containing Said Derivatives and Use Thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-05-10 US disclosed
US-20110312926-A1 2-(N-Substituted Piperazinyl) Steroid Derivatives UNIVERSITE LAVAL (CA) 2011-12-22 US disclosed
US-20110312926-A1 2-(N-Substituted Piperazinyl) Steroid Derivatives UNIVERSITE LAVAL (CA) 2011-12-22 US disclosed
US-7759459-B2 Fluorescent assays for protein kinases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-07-20 US disclosed
US-7759459-B2 Fluorescent assays for protein kinases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-07-20 US disclosed
US-20090111755-A1 METHODS FOR THE USE OF INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES PROVID PHARMACEUTICALS, INC. 2009-04-30 US disclosed
EP-1006122-B1 PHENETHYLAMINE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-12-03 EP disclosed
US-7439231-B2 Inhibitors of antigen presentation by MHC class II molecules and methods of use thereof PROVID PHARMACEUTICALS, INC. (US) 2008-10-21 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-01-04 US disclosed
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-01-04 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 (8 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-20210147478-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII TFPI, F11, F13B NOTUM 704/4885TDP1 2533/4885POLB 2381/4885
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ACIN1, CYCS, CASP7 NOTUM 2060/4885TDP1 2730/4885POLB 2207/4885
US-20090111755-A1 METHODS FOR THE USE OF INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES HLA-DRB1, CD74, MICA NOTUM 1341/4885TDP1 3779/4885POLB 1457/4885
US-20120252734-A1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES HLA-DRB1, CD74, MICA NOTUM 1498/4885TDP1 3972/4885POLB 2384/4885
US-20110312926-A1 2-(N-Substituted Piperazinyl) Steroid Derivatives NR5A1, HSD17B11, CYP17A1 NOTUM 1771/4885TDP1 4344/4885POLB 1888/4885
US-20120115842-A1 Substituted Oxindole Derivatives, Medicaments Containing Said Derivatives and Use Thereof OXTR, AVPR2, AVPR1B NOTUM 2621/4885TDP1 2427/4885POLB 4688/4885
US-20190322700-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 NOTUM 321/4885TDP1 736/4885POLB 2502/4885
US-11072634-B2 Inhibitors of transglutaminases TGM2, TGM3, TGM1 NOTUM 321/4885TDP1 736/4885POLB 2502/4885

“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.