SCHEMBL2445253

SCHEMBL2445253

COC(=O)c1cccc(NC=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
POLB P06746 1/20 0.59
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
TP53 P04637 1/20 0.57
NPC1 O15118 3/20 0.56
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TCF4 P15884 2/20 0.51
CTNNB1 P35222 2/20 0.51
HTT P42858 1/20 0.51
TSHR P16473 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL16433569 0.87 RAB9A (0.56) RAB9APOLBALDH1A1SMN1; SMN2TP53
SCHEMBL5524128 0.84 KMT2A (0.60) RAB9APOLBALDH1A1SMN1; SMN2TP53
SCHEMBL3901564 0.82 KMT2A (0.60) RAB9APOLBALDH1A1SMN1; SMN2NPC1
SCHEMBL14470122 0.82 KDM4E (0.50) POLBALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL5547676 0.82 ALDH1A1 (0.64) RAB9APOLBALDH1A1SMN1; SMN2TP53
SCHEMBL30444499 0.80 RAB9A (0.66) RAB9APOLBALDH1A1SMN1; SMN2TP53
SCHEMBL19647678 0.80 RAB9A (0.65) RAB9APOLBALDH1A1SMN1; SMN2TP53
SCHEMBL13808968 0.80 RAB9A (0.65) RAB9APOLBALDH1A1SMN1; SMN2TP53
SCHEMBL171243 0.80 RAB9A (0.55) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL694145 0.80 RAB9A (0.66) RAB9APOLBALDH1A1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-3705481-A1 HETEROARYL AMIDE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITIONS THEREOF, AND APPLICATIONS THEREOF Rui Jin Hospital Affiliated To Shanghai Jiao Tong University School of Medicine (CN) 2020-09-09 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-20040176410-A1 4-hydroxpiperdine derivative with analgetic activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-09-09 US disclosed
EP-1391452-A1 4-HYDROXPIPERIDINE DERIVATIVE WITH ANALGETIC ACTIVITY MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-02-25 EP disclosed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 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 (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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP RAB9A 4538/4885POLB 573/4885ALDH1A1 96/4885
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 RAB9A 3765/4885POLB 3236/4885ALDH1A1 1861/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H RAB9A 3868/4885POLB 28/4885ALDH1A1 557/4885
US-20040176410-A1 4-hydroxpiperdine derivative with analgetic activity HNMT, HDAC1, HDAC3 RAB9A 1796/4885POLB 3656/4885ALDH1A1 416/4885

“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.