SCHEMBL1004028

SCHEMBL1004028

NC(=O)c1ccccc1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
PLA2G10 O15496 1/20 0.55
PLA2G2A P14555 1/20 0.55
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 1/20 0.50
CAPN1 P07384 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PTPN1 P18031 3/20 0.47
HTR2A P28223 1/20 0.47
BCAT2 O15382 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
ADRA1D P25100 1/20 0.46
PTPN2 P17706 1/20 0.46

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
Hydrochloric Acid SCHEMBL15690391 0.98 TSHR (0.56) TSHRPLA2G10PLA2G2ACA1CA2
Benzoic Acid SCHEMBL28485841 0.91 TSHR (0.68) TSHRPLA2G10PLA2G2ACA1CA2
SCHEMBL7134588 0.87 TSHR (0.54) TSHRPLA2G10PLA2G2AALDH1A1MAPT
SCHEMBL5723934 0.87 KEAP1 (0.56) TSHRPLA2G10PLA2G2ACA1CA2
SCHEMBL19439093 0.87 TSHR (0.53) TSHRPLA2G10PLA2G2ACA1CA2
SCHEMBL1500536 0.85 TSHR (0.51) TSHRPLA2G10PLA2G2ACA1CA2
SCHEMBL10604934 0.85 PLA2G2A (0.49) TSHRPLA2G10PLA2G2ACA1CA2
SCHEMBL1161694 0.85 CDC7 (0.50) TSHRPLA2G10PLA2G2ACA1CA2
SCHEMBL22265949 0.85 PLA2G2A (0.49) TSHRPLA2G10PLA2G2ACA1CA2
SCHEMBL30100451 0.85 TSHR (0.51) TSHRPLA2G10PLA2G2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116139879-B IrNi/SiO of silicon dioxide supported iridium nickel catalyst 2 And high-selectivity catalytic hydrogenation method and application thereof in benzonitrile, crotonaldehyde and benzalacetone 安徽大学 2024-01-26 CN claimed
CN-109691450-A The purposes of N- benzyl benzamide compound and combinations thereof, mix preparation 利民化工股份有限公司 2019-04-30 CN claimed
CN-109678815-A N- benzyl benzamide derivatives and preparation method thereof and pharmaceutical applications 中国药科大学 2019-04-26 CN claimed
CN-107624110-A Inhibitor of lysyloxidase sample 2 and application thereof 法玛克亚公司 2018-01-23 CN claimed
CN-107075190-A Oxygen barrier plastic material 科莱恩国际有限公司 2017-08-18 CN claimed
EP-2629889-A2 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF Yeda Research and Development Co. Ltd. (IL) 2013-08-28 EP claimed
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP claimed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US claimed
WO-2012052996-A2 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-04-26 WO claimed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US claimed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US claimed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
CN-1434811-A Novel P2X for use in the treatment of inflammatory, immune or cardiovascular diseases7Receptor antagonists ASTRAZENECA AB (SE) 2003-08-06 CN claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
EP-1242396-A1 NEW P2X 7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISEASES AstraZeneca AB (SE) 2002-09-25 EP claimed
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO claimed
WO-2001044213-A1 NEW P2X7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISEASES ASTRAZENECA AB (SE) 2001-06-21 WO claimed

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-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators PIM1, PIM2, PIM3 TSHR 1677/4885PLA2G10 4799/4885PLA2G2A 4739/4885
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 TSHR 3971/4885PLA2G10 3823/4885PLA2G2A 2591/4885
US-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 TSHR 1307/4885PLA2G10 4057/4885PLA2G2A 2200/4885

“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.