SCHEMBL710211

SCHEMBL710211

CNC(=O)c1ccc(CCl)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 7/20 0.68
HDAC2 Q92769 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
CA2 P00918 3/20 0.55
CA1 P00915 2/20 0.55
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
EPHX2 P34913 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
MMP13 P45452 1/20 0.47
ACACB O00763 1/20 0.45
BRD4 O60885 1/20 0.45
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
BRDT Q58F21 1/20 0.45
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL456505 0.89 PLK1 (0.62) PLK1HDAC2HDAC8HDAC6CA2
SCHEMBL14025527 0.85 PLK1 (0.76) PLK1HDAC2HDAC8HDAC6CA2
SCHEMBL21104562 0.84 HDAC1 (0.60) PLK1HDAC6CA2CA1SMN1; SMN2
SCHEMBL250247 0.82 HDAC6 (0.80) PLK1HDAC2HDAC8HDAC6CA2
SCHEMBL15017778 0.81 PLK1 (0.70) PLK1HDAC2HDAC8HDAC6CA2
SCHEMBL6846675 0.81 ALDH1A1 (0.63) HDAC6CA2CA1HTT
SCHEMBL1121661 0.81 PLK1 (1.00) PLK1HDAC2HDAC8HDAC6HPGD
SCHEMBL10153931 0.81 PLK1 (0.70) PLK1HDAC2HDAC8HDAC6CA2
SCHEMBL9141421 0.81 HDAC6 (0.64) HDAC8HDAC6CA2CA1
SCHEMBL9450034 0.80 PLK1 (0.63) PLK1HDAC2HDAC8HDAC6CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702509-B2 Monomer, polymer, compensation film, optical film, and display device SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-18 US disclosed
US-11702509-B2 Monomer, polymer, compensation film, optical film, and display device SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-18 US disclosed
US-11608347-B2 Octahydropyrido[1,2-alpha]pyrazines as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2023-03-21 US disclosed
US-11332459-B2 Benzimidazole derivatives and their uses TEIJIN PHARMA LIMITED (JP) 2022-05-17 US disclosed
CN-105593211-B Indole and indazole derivatives 豪夫迈·罗氏有限公司 2021-07-27 CN disclosed
US-20200377659-A1 MONOMER, POLYMER, COMPENSATION FILM, OPTICAL FILM, AND DISPLAY DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2020-12-03 US disclosed
US-10808080-B2 Monomer, polymer, compensation film, optical film, and display device SAMSUNG ELECTRONICS CO, LTD. (KR) 2020-10-20 US disclosed
US-20200308145-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USES AMGEN INC. (US) 2020-10-01 US disclosed
CN-111566105-A Octahydropyrido [1, 2-alpha ] pyrazines as MAGL inhibitors 豪夫迈·罗氏有限公司 2020-08-21 CN disclosed
US-10428051-B2 Substituted amide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-01 US disclosed
EP-1756051-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-02-28 EP disclosed
WO-2005121080-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-22 WO disclosed
US-20040210051-A1 N-alkanoylphenylalanine derivatives CHEN LI (US) 2004-10-21 US disclosed
US-6806365-B2 ACTIVITY AS INHIBITORS OF BINDING BETWEEN VCAM-1 AND CELLS EXPRESSING VLA-4. SUCH COMPOUNDS ARE USEFUL FOR TREATING DISEASES WHOSE SYMPTOMS AND/OR DAMAGE ARE RELATED TO THE BINDING OF VCAM-1 TO CELLS EXPRESSING VLA-4. HOFFMANN-LA ROCHER INC. 2004-10-19 US disclosed
EP-1005446-B1 N-AROYLPHENYLALANINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-02-25 EP disclosed
US-20030109459-A1 N-alkanoylphenylalamine derivatives CHEN LI (US) 2003-06-12 US disclosed
US-6455550-B1 INHIBITORS OF BINDING BETWEEN VASCULAR CELL ADHESION MOLECULES AND CELLS EXPRESSING VLA-4 INTEGRIN; ANTIINFLAMMATORY AGENTS HOFFMANN-LA ROCHE INC. 2002-09-24 US disclosed
CN-1276785-A N-aroylphenylalanine derivs. HOFFMANNN LA ROCHE AG F (CH) 2000-12-13 CN disclosed
EP-1005446-A1 N-AROYLPHENYLALANINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-07 EP disclosed
WO-1999010313-A1 N-AROYLPHENYLALANINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1999-03-04 WO 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 (9 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-10428051-B2 Substituted amide derivatives having multimodal activity against pain OPRM1, OPRD1, OPRK1 PLK1 3803/4885HDAC2 655/4885HDAC8 555/4885
US-20200377659-A1 MONOMER, POLYMER, COMPENSATION FILM, OPTICAL FILM, AND DISPLAY DEVICE PYM1, PADI1, COL1A1 PLK1 3365/4885HDAC2 4834/4885HDAC8 4875/4885
US-20030109459-A1 N-alkanoylphenylalamine derivatives VCAM1, ICAM1, SELL PLK1 4745/4885HDAC2 1283/4885HDAC8 1859/4885
US-20200308145-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USES TRPC6, TRPV6, TRPM6 PLK1 2200/4885HDAC2 463/4885HDAC8 494/4885
US-11608347-B2 Octahydropyrido[1,2-alpha]pyrazines as MAGL inhibitors PYM1, MAG, MAGI3 PLK1 3661/4885HDAC2 3183/4885HDAC8 4549/4885
US-11702509-B2 Monomer, polymer, compensation film, optical film, and display device PYM1, PADI1, COL1A1 PLK1 3365/4885HDAC2 4834/4885HDAC8 4875/4885
US-20040210051-A1 N-alkanoylphenylalanine derivatives VCAM1, ICAM1, CD59 PLK1 4580/4885HDAC2 2608/4885HDAC8 3100/4885
US-10808080-B2 Monomer, polymer, compensation film, optical film, and display device RAP1A, PYM1, COL1A1 PLK1 4029/4885HDAC2 4786/4885HDAC8 4842/4885
US-11332459-B2 Benzimidazole derivatives and their uses TRPC6, TRPV6, TRPM6 PLK1 2200/4885HDAC2 463/4885HDAC8 494/4885

“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.