SCHEMBL7098017

SCHEMBL7098017

CC(C)(C)c1ccc(NC(=O)CCl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
MITF O75030 2/20 0.58
XBP1 P17861 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NOD2 Q9HC29 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.56
HTT P42858 3/20 0.56
ALDH1A1 P00352 3/20 0.56
PRMT1 Q99873 1/20 0.56
MAPT P10636 3/20 0.54
MAPK1 P28482 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KIF11 P52732 1/20 0.54
NR1H4 Q96RI1 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL25167513 0.91 RNF4 (0.68) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL9081388 0.84 NPC1 (0.76) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL12233865 0.83 MAPT (0.58) NPC1RAB9AXBP1SMN1; SMN2HTT
SCHEMBL13167576 0.81 RAB9A (0.65) NPC1RAB9AXBP1SMN1; SMN2HTT
SCHEMBL4008934 0.81 EPHX2 (0.63) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL8288211 0.81 NPC1 (0.54) NPC1RAB9AXBP1SMN1; SMN2HTT
SCHEMBL9429422 0.81 MAPT (0.59) NPC1RAB9AXBP1SMN1; SMN2HTT
SCHEMBL3043118 0.81 NPC1 (0.54) NPC1RAB9AXBP1SMN1; SMN2HTT
SCHEMBL19240371 0.81 KIF11 (0.59) NPC1RAB9AXBP1NPSR1SMN1; SMN2
SCHEMBL6857771 0.81 SMN1; SMN2 (0.59) NPC1RAB9AXBP1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114685392-B Phenyl-tetrazole oxime derivative and preparation method and application thereof 东莞市东阳光农药研发有限公司 2026-05-19 CN disclosed
US-20230174488-A1 SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2023-06-08 US disclosed
CN-114685392-A Phenyl-tetrazole oxime derivative and preparation method and application thereof 东莞市东阳光农药研发有限公司 2022-07-01 CN disclosed
WO-2021219089-A1 SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (CN) 2021-11-04 WO disclosed
EP-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP disclosed
US-6596752-B1 Small molecules that are potent inhibitors of alpha 4 beta 1 mediated adhesion to either VCAM or CS-1 and which could be useful for the treatment of inflammatory diseases. TANABE SEIYAKU CO., LTD. (JP) 2003-07-22 US disclosed
US-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-07-10 US disclosed
US-6482849-B1 Inhibitors of α4β1 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2002-11-19 US disclosed
EP-0991619-A1 INHIBITORS OF $g(a) 4?$g(b) 1?MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-04-12 EP disclosed
WO-1998058902-A1 INHIBITORS OF α4β1MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1998-12-30 WO disclosed
US-4661494-A POWDERY MILDEW CHEVRON RESEARCH COMPANY (US) 1987-04-28 US disclosed
US-4532251-A N-substituted-N',N'-disubstituted glycinamide fungicides CHEVRON RESEARCH COMPANY (US) 1985-07-30 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 (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-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion VCAM1, ICAM1, ITGB1 NPC1 1354/4885RAB9A 2999/4885MITF 4628/4885
US-20230174488-A1 SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS ACE2, SARS1, ACE NPC1 839/4885RAB9A 3242/4885MITF 4548/4885

“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.