SCHEMBL4247052

SCHEMBL4247052

O=C(Nc1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.86
RAB9A P51151 2/20 0.86
LMNA P02545 2/20 0.71
PTGS1 P23219 3/20 0.70
TRPV1 Q8NER1 3/20 0.70
P2RX1 P51575 1/20 0.70
MEN1 O00255 1/20 0.69
MAPT P10636 1/20 0.69
KMT2A Q03164 1/20 0.69
RORC P51449 1/20 0.68
PTPN1 P18031 1/20 0.67
KCNK3 O14649 1/20 0.67
HDAC2 Q92769 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
HIF1A Q16665 1/20 0.63
EPAS1 Q99814 1/20 0.63
HTT P42858 1/20 0.62

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
SCHEMBL19501818 0.93 RAB9A (0.81) NPC1RAB9ALMNAPTGS1TRPV1
SCHEMBL17115744 0.93 NPC1 (0.81) NPC1RAB9ALMNAPTGS1TRPV1
SCHEMBL12010918 0.93 RAB9A (0.81) NPC1RAB9ALMNAPTGS1TRPV1
SCHEMBL2564890 0.93 NPC1 (1.00) NPC1RAB9ALMNAPTGS1TRPV1
Iodide SCHEMBL30758553 0.91 NPC1 (0.96) NPC1RAB9ALMNAPTGS1TRPV1
SCHEMBL7513604 0.90 TRPV1 (0.83) NPC1RAB9ALMNAPTGS1TRPV1
SCHEMBL19501822 0.89 SIRT1 (0.74) NPC1RAB9ALMNAPTGS1MEN1
SCHEMBL27924242 0.88 NPC1 (0.90) NPC1RAB9ALMNAPTGS1TRPV1
SCHEMBL11730950 0.87 NPC1 (0.77) NPC1RAB9APTGS1TRPV1MAPT
SCHEMBL7519747 0.87 MAPT (0.82) NPC1RAB9ALMNAPTGS1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483582-B Aza-carbene-palladium complex crystal, synthesis method thereof and application thereof in preparing amide compound 陕西师范大学 2023-02-10 CN disclosed
CN-108504094-B Polyimide precursor solution and polyimide film 富士胶片商业创新有限公司 2022-06-21 CN disclosed
CN-114276270-A Synthesis method of compound with amido bond 湖北文理学院 2022-04-05 CN disclosed
EP-2791121-B1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2016-08-03 EP disclosed
US-20100069443-A1 COMPOUND WITH BENZAMIDE SKELETON HAVING CYCLOOXYGENASE-1 (COX-1)-SELECTIVE INHIBITORY ACTIVITY NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2010-03-18 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-7071199-B1 Kinase inhibitors as therapeutic agents ABBOTT GMBH & CCO. KG (DE) 2006-07-04 US disclosed
EP-0725302-B1 A process of producing a polyimide block copolymer JAPAN SYNTHETIC RUBBER CO LTD (JP) 2002-04-03 EP disclosed
US-5672750-A Preparation of aromatic amides from carbon monoxide, an amine and an aromatic chloride EASTMAN CHEMICAL COMPANY (US) 1997-09-30 US disclosed
EP-0725302-A2 A process of producing a polyimide block copolymer JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-08-07 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 (2 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-20100069443-A1 COMPOUND WITH BENZAMIDE SKELETON HAVING CYCLOOXYGENASE-1 (COX-1)-SELECTIVE INHIBITORY ACTIVITY PTGS1, PTGS2, PTGIS NPC1 3504/4885RAB9A 3360/4885LMNA 4467/4885
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 NPC1 869/4885RAB9A 733/4885LMNA 2198/4885

“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.